Thermodynamics Species Database

SPECIESSPECIES FormulaGroupsUnitsHfSCp300Cp400Cp500Cp600Cp800Cp1000Cp1500CPINFRotorsSymmetry
IC8H18C8H186KCAL -53.24101.4145.1457.9169.6579.9396.68108.02131.46144.067729
AC8H17C8H177KCAL -4.16106.9444.6156.7967.977.5193.31103.93126.42138.17162
BC8H17C8H177KCAL -8.21108.4143.6155.5466.6576.4692.51103.38126.17138.17162
CC8H17C8H177KCAL -10.89109.6644.3655.4366.175.7891.93103126.07138.17162
DC8H17C8H177KCAL -4.16103.9544.6156.7967.977.5193.31103.93126.42138.17729
IC8H16C8H167KCAL -25.8399.5742.8354.5864.9873.6987.1297.89111.1133.136729
JC8H16C8H167KCAL -28.28100.1742.5554.266574.3189.25100.68119.78133.136243
IC8H15C8H158KCAL 10.1299.1942.554.3264.5472.9685.4995.54107.55128.165243
AC8H17O2HC8H17O2H9KCAL -72.37121.9752.6266.378.5689.06106.24117.140153.99981
BC8H17O2HC8H17O2H8KCAL -76.85117.4853.4267.1879.5189.6106.62117.70153.999729
CC8H17O2HC8H17O2H8KCAL -78.55118.3354.3468.5780.4290.76107.35119.550153.999729
DC8H17O2HC8H17O2H9KCAL -72.37119.7952.6266.378.5689.06106.24117.140153.999243
AC8H17O2C8H17O210KCAL -39.2121.4951.9664.4976.386.29102.96113.40149.02881
AC8OOH-AC8H16OOH10KCAL -24.09125.3152.0965.1876.8186.64102.87113.050148.03954
AC8OOH-BC8H16OOH10KCAL -26.54125.9851.0963.9375.5685.59102.07112.50148.03981
AC8OOH-CC8H16OOH9KCAL -30.72125.8551.8463.8275.0184.91101.49112.120148.039162
AC8OOH-DC8H16OOH10KCAL -24.09125.3152.0965.1876.8186.64102.87113.050148.03954
BC8H17O2C8H17O29KCAL -43.6811752.7665.3777.2586.83103.34113.960149.028729
BC8OOH-CC8H16OOH8KCAL -35.2121.3752.6464.775.9685.45101.87112.680148.0391458
BC8OOH-AC8H16OOH9KCAL -27.77123.0152.8966.0677.7687.18103.25113.610148.039162
BC8OOH-DC8H16OOH9KCAL -27.77120.8352.8966.0677.7687.18103.25113.610148.039486
CC8H17O2C8H17O29KCAL -45.38117.8553.6866.7678.1687.99104.07115.810149.028729
CC8OOH-DC8H16OOH9KCAL -29.47121.6853.8167.4578.6788.34103.98115.460148.039486
CC8OOH-BC8H16OOH9KCAL -32.72122.3452.8166.277.4287.29103.18114.910148.039729
CC8OOH-AC8H16OOH9KCAL -29.47123.8653.8167.4578.6788.34103.98115.460148.039162
DC8H17O2C8H17O210KCAL -39.2119.3151.9664.4976.386.29102.96113.40149.028243
DC8OOH-CC8H16OOH9KCAL -30.72125.0551.8463.8275.0184.91101.49112.120148.039243
DC8OOH-DC8H16OOH10KCAL -24.09123.1352.0965.1876.8186.64102.87113.050148.039162
DC8OOH-BC8H16OOH10KCAL -26.54123.851.0963.9375.5685.59102.07112.50148.039243
DC8OOH-AC8H16OOH10KCAL -24.09125.3152.0965.1876.8186.64102.87113.050148.03954
AC8H17OHC8H17OH8KCAL -89.31114.7747.961.3573.5584.13101.13112.38136.23149.02881
AC8H17OC8H17O9KCAL -35.76113.2647.7360.6272.2982.4698.89109.33132.84144.06781
BC8H17OHC8H17OH8KCAL -93.36111.0348.8161.9773.8884.21100.95112.47135.63149.028729
BC8H17OC8H17O9KCAL -39.81109.5248.6461.2472.6282.5498.71109.42132.24144.067729
CC8H17OHC8H17OH7KCAL -95.78110.0749.5762.5774.2184.22100.92113.62134.84149.028729
CC8H17OC8H17O8KCAL -42.23108.5649.461.8472.9582.5598.68110.57131.45144.067729
DC8H17OHC8H17OH9KCAL -89.31113.9647.961.3573.5584.13101.13112.38136.23149.028243
DC8H17OC8H17O10KCAL -35.76112.4547.7360.6272.2982.4698.89109.33132.84144.067243
IC8ETERAAC8H16O9KCAL -47.05105.4342.8156.0368.578.9394.4104.440140.08527
IC8ETERABC8H16O10KCAL -52.84101.3541.7255.0367.5978.193.82104.430140.08581
IC8ETERACC8H16O8KCAL -76.8996.9840.6354.266.8977.4193.55105.620141.084162
IC8ETERADC8H16O9KCAL -75.3892.938.8753.2166.7278.0694.89105.760142.07327
IC8ETERBCC8H16O9KCAL -57.5799.1845.3957.8769.4979.194.01105.770139.096729
IC8ETERBDC8H16O10KCAL -52.8499.1741.7255.0367.5978.193.82104.430140.085243
IC8ETERCDC8H16O10KCAL -52.72102.1144.4857.2569.1679.0294.19105.680139.096243
IC8ETERDDC8H16O9KCAL -47.99100.7240.8154.4167.2678.0294104.340140.08581
AC8QAO2HC8H16O4H29KCAL -91.5140.3460.174.6987.4798.19115.8126.260163.931127
AC8QAO2C8H16O4H10KCAL -58.33139.8659.4472.8885.2195.42112.52122.520158.961027
AC8QBO2HC8H16O4H29KCAL -95.18138.0460.975.5788.4298.73116.18126.820163.931181
AC8QBO2C8H16O4H10KCAL -62.01137.5660.2473.7686.1695.96112.9123.080158.961081
AC8QCO2HC8H18O49KCAL -96.88138.8961.8276.9689.3399.89116.91128.670163.931181
AC8QCO2C8H17O410KCAL -63.71138.4161.1675.1587.0797.12113.63124.930158.961081
AC8QDO2HC8H18O49KCAL -91.5140.3460.174.6987.4798.19115.8126.260163.931127
AC8QDO2C8H17O410KCAL -58.33139.8659.4472.8885.2195.42112.52122.520158.961027
BC8QCO2HC8H18O48KCAL -100.56134.462.6277.8490.28100.43117.29129.230163.9311729
BC8QCO2C8H17O49KCAL -67.39133.9261.9676.0388.0297.66114.01125.490158.9610729
BC8QDO2HC8H18O49KCAL -95.18135.8660.975.5788.4298.73116.18126.820163.9311243
BC8QDO2C8H17O410KCAL -62.01135.3860.2473.7686.1695.96112.9123.080158.9610243
CC8QDO2HC8H18O49KCAL -96.88138.0861.8276.9689.3399.89116.91128.670163.9311243
CC8QDO2C8H17O410KCAL -63.71137.661.1675.1587.0797.12113.63124.930158.9610243
DC8QDO2HC8H18O49KCAL -91.5139.5360.174.6987.4798.19115.8126.260163.931181
DC8QDO2C8H17O410KCAL -58.33139.0559.4472.8885.2195.42112.52122.520158.961081
IC8KETAAC8H16O39KCAL -96.82131.6653.2465.9577.0486.21100.71109.960148.03927
IC8KETABC8H16O38KCAL -100.5127.9954.0466.8377.9986.75101.09110.520148.03981
IC8KETACC8H16O38KCAL -102.2128.8454.9668.2278.987.91101.82112.370148.03981
IC8KETADC8H16O39KCAL -96.82131.6653.2465.9577.0486.21100.71109.960148.03927
IC8KETBAC8H16O39KCAL -101.39130.7453.265.3275.8884.5198.18109.30148.03981
IC8KETBCC8H16O39KCAL -105.86123.6453.8366.8278.0287.29101.28113.220148.039729
IC8KETBDC8H16O39KCAL -101.39129.9353.265.3275.8884.5198.18109.30148.039243
IC8KETDAC8H16O39KCAL -95.84130.4854.0466.5677.8387.38102.94113.850148.03927
IC8KETDBC8H16O38KCAL -99.5212654.8467.4478.7887.92103.32114.410148.039243
IC8KETDCC8H16O39KCAL -100.31123.3954.6768.0679.9790.16106.04117.770148.039243
IC8KETDDC8H16O39KCAL -95.84128.354.0466.5677.8387.38102.94113.850148.03981
IC8H18C8H186KJ -222.76424.31188.87242.3291.42334.43404.51451.96550.03602.747729
AC8H17C8H176KJ -23.68447.44186.65237.61284.09324.3390.41434.84528.94577.87162
BC8H17C8H176KJ -40.63441.09182.46232.38278.86319.91387.06432.54527.9577.87729
CC8H17C8H176KJ -51.84446.32185.6231.92276.56317.06384.64430.95527.48577.87729
DC8H17C8H176KJ -23.68434.94186.65237.61284.09324.3390.41434.84528.94577.87729
IC8H16C8H167KJ -112.8416.99180.33229.12272.13308.32364.89408.78465.39557.016729
JC8H16C8H167KJ -106.73419.47179.16227.78272.21310.91373.8420.45501.7557.016243
IC8H15C8H158KJ 37.61415.37178.95228.03270.29305.26358.07398.94450.53536.235243
AC8H17O2HC8H17O2H9KJ -309.07510.31220.16277.4328.7372.63444.51490.110644.3981
BC8H17O2HC8H17O2H8KJ -327.82491.55223.51281.08332.67374.89446.1492.460644.39729
CC8H17O2HC8H17O2H8KJ -331.58495.1227.36286.9336.48379.74449.15500.20644.39729
DC8H17O2HC8H17O2H9KJ -309.07501.18220.16277.4328.7372.63444.51490.110644.39243
AC8H17O2C8H17O210KJ -170.29508.31217.4269.83319.24361.04430.78474.470623.52881
AC8OOH-AC8H16OOH10KJ -103.72524.31217.94272.71321.37362.5430.414730619.36954
AC8OOH-BC8H16OOH10KJ -117.32527.09213.76267.48316.14358.11427.06470.70619.36981
AC8OOH-CC8H16OOH9KJ -131.88526.56216.9267.02313.84355.26424.63469.110619.369162
AC8OOH-DC8H16OOH10KJ -103.72524.31217.94272.71321.37362.5430.414730619.36954
BC8H17O2C8H17O29KJ -185.69489.54220.75273.51323.21363.3432.37476.810623.528729
BC8OOH-CC8H16OOH8KJ -147.28507.79220.25270.7317.82357.52426.22471.450619.3691458
BC8OOH-AC8H16OOH9KJ -122.46514.68221.29276.4325.35364.76432475.340619.369162
BC8OOH-DC8H16OOH9KJ -119.12505.54221.29276.4325.35364.76432475.340619.369486
CC8H17O2C8H17O29KJ -192.8493.09224.6279.32327.02368.15435.43484.550623.528729
CC8OOH-DC8H16OOH9KJ -126.23509.1225.14282.21329.16369.61435.05483.080619.369486
CC8OOH-BC8H16OOH9KJ -139.83511.88220.96276.98323.93365.22431.71480.780619.369729
CC8OOH-AC8H16OOH9KJ -126.23518.23225.14282.21329.16369.61435.05483.080619.369162
DC8H17O2C8H17O210KJ -164.01499.17217.4269.83319.24361.04430.78474.470623.528243
DC8OOH-CC8H16OOH9KJ -128.53523.19216.9267.02313.84355.26424.63469.110619.369243
DC8OOH-DC8H16OOH10KJ -100.79515.18217.94272.71321.37362.5430.414730619.369162
DC8OOH-BC8H16OOH10KJ -111.04517.96213.76267.48316.14358.11427.06470.70619.369243
DC8OOH-AC8H16OOH10KJ -100.79524.31217.94272.71321.37362.5430.414730619.36954
AC8H17OHC8H17OH8KJ -373.67480.19200.41256.69307.73352423.13470.2569.99623.52881
AC8H17OC8H17O9KJ -149.62473.87199.7253.63302.46345.01413.76457.44555.8602.74781
BC8H17OHC8H17OH8KJ -390.62464.56204.22259.28309.11352.33422.37470.57567.48623.528729
BC8H17OC8H17O9KJ -166.56458.24203.51256.23303.84345.35413457.81553.29602.747729
CC8H17OHC8H17OH7KJ -400.74460.54207.4261.79310.49352.38422.25475.39564.17623.528729
CC8H17OC8H17O8KJ -176.69454.22206.69258.74305.22345.39412.88462.62549.99602.747729
DC8H17OHC8H17OH9KJ -373.67476.79200.41256.69307.73352423.13470.2569.99623.528243
DC8H17OC8H17O10KJ -149.62470.47199.7253.63302.46345.01413.76457.44555.8602.747243
IC8ETERAAC8H16O9KJ -196.86441.12179.12234.43286.6330.24394.97436.980586.11527
IC8ETERABC8H16O10KJ -221.08424.04174.56230.25282.8326.77392.54436.940586.11581
IC8ETERACC8H16O8KJ -321.71405.77170226.77279.87323.88391.41441.910590.274162
IC8ETERADC8H16O9KJ -315.39388.7162.63222.63279.16326.6397.02442.50594.42327
IC8ETERBCC8H16O9KJ -240.87414.98189.91242.13290.75330.95393.34442.540581.956729
IC8ETERBDC8H16O10KJ -221.08414.91174.56230.25282.8326.77392.54436.940586.115243
IC8ETERCDC8H16O10KJ -220.58427.21186.1239.53289.37330.62394.09442.170581.956243
IC8ETERDDC8H16O9KJ -200.79421.41170.75227.65281.42326.44393.3436.560586.11581
AC8QAO2HC8H16O4H29KJ -382.84587.19251.46312.5365.97410.83484.51528.270685.871127
AC8QAO2C8H16O4H10KJ -244.05585.18248.7304.93356.52399.24470.78512.620665.091027
AC8QBO2HC8H16O4H29KJ -398.23577.55254.81316.18369.95413.09486.1530.610685.871181
AC8QBO2C8H16O4H10KJ -259.45575.54252.04308.61360.49401.5472.37514.970665.091081
AC8QCO2HC8H18O49KJ -405.35581.11258.65322373.76417.94489.15538.360685.871181
AC8QCO2C8H17O410KJ -266.56579.1255.89314.43364.3406.35475.43522.710665.091081
AC8QDO2HC8H18O49KJ -382.84587.19251.46312.5365.97410.83484.51528.270685.871127
AC8QDO2C8H17O410KJ -244.05585.18248.7304.93356.52399.24470.78512.620665.091027
BC8QCO2HC8H18O48KJ -420.74562.34262325.68377.73420.2490.74540.70685.8711729
BC8QCO2C8H17O49KJ -281.96560.33259.24318.11368.28408.61477.02525.050665.0910729
BC8QDO2HC8H18O49KJ -398.23568.42254.81316.18369.95413.09486.1530.610685.8711243
BC8QDO2C8H17O410KJ -259.45566.41252.04308.61360.49401.5472.37514.970665.0910243
CC8QDO2HC8H18O49KJ -405.35577.71258.65322373.76417.94489.15538.360685.8711243
CC8QDO2C8H17O410KJ -266.56575.7255.89314.43364.3406.35475.43522.710665.0910243
DC8QDO2HC8H18O49KJ -382.84583.79251.46312.5365.97410.83484.51528.270685.871181
DC8QDO2C8H17O410KJ -244.05581.78248.7304.93356.52399.24470.78512.620665.091081
IC8KETAAC8H16O310KJ -418.48550.87222.76275.93322.34360.7421.37460.070619.36927
AC8H17C8H176KJ -23.68447.44186.65237.61284.09324.3390.41434.84528.94577.87162
BC8H17C8H176KJ -40.63441.09182.46232.38278.86319.91387.06432.54527.9577.87729
CC8H17C8H176KJ -51.84446.32185.6231.92276.56317.06384.64430.95527.48577.87729
DC8H17C8H176KJ -23.68434.94186.65237.61284.09324.3390.41434.84528.94577.87729
IC8H16C8H167KJ -112.8416.99180.33229.12272.13308.32364.89408.78465.39557.016729
JC8H16C8H167KJ -106.73419.47179.16227.78272.21310.91373.8420.45501.7557.016243
IC8H15C8H158KJ 37.61415.37178.95228.03270.29305.26358.07398.94450.53536.235243
AC8H17O2HC8H17O2H9KJ -309.07510.31220.16277.4328.7372.63444.51490.110644.3981
BC8H17O2HC8H17O2H8KJ -327.82491.55223.51281.08332.67374.89446.1492.460644.39729
CC8H17O2HC8H17O2H8KJ -331.58495.1227.36286.9336.48379.74449.15500.20644.39729
DC8H17O2HC8H17O2H9KJ -309.07501.18220.16277.4328.7372.63444.51490.110644.39243
AC8H17O2C8H17O210KJ -170.29508.31217.4269.83319.24361.04430.78474.470623.52881
AC8OOH-AC8H16OOH10KJ -103.72524.31217.94272.71321.37362.5430.414730619.36954
AC8OOH-BC8H16OOH10KJ -117.32527.09213.76267.48316.14358.11427.06470.70619.36981
AC8OOH-CC8H16OOH9KJ -131.88526.56216.9267.02313.84355.26424.63469.110619.369162
AC8OOH-DC8H16OOH10KJ -103.72524.31217.94272.71321.37362.5430.414730619.36954
BC8H17O2C8H17O29KJ -185.69489.54220.75273.51323.21363.3432.37476.810623.528729
BC8OOH-CC8H16OOH8KJ -147.28507.79220.25270.7317.82357.52426.22471.450619.3691458
BC8OOH-AC8H16OOH9KJ -122.46514.68221.29276.4325.35364.76432475.340619.369162
BC8OOH-DC8H16OOH9KJ -119.12505.54221.29276.4325.35364.76432475.340619.369486
CC8H17O2C8H17O29KJ -192.8493.09224.6279.32327.02368.15435.43484.550623.528729
CC8OOH-DC8H16OOH9KJ -126.23509.1225.14282.21329.16369.61435.05483.080619.369486
CC8OOH-BC8H16OOH9KJ -139.83511.88220.96276.98323.93365.22431.71480.780619.369729
CC8OOH-AC8H16OOH9KJ -126.23518.23225.14282.21329.16369.61435.05483.080619.369162
DC8H17O2C8H17O210KJ -164.01499.17217.4269.83319.24361.04430.78474.470623.528243
DC8OOH-CC8H16OOH9KJ -128.53523.19216.9267.02313.84355.26424.63469.110619.369243
DC8OOH-DC8H16OOH10KJ -100.79515.18217.94272.71321.37362.5430.414730619.369162
DC8OOH-BC8H16OOH10KJ -111.04517.96213.76267.48316.14358.11427.06470.70619.369243
DC8OOH-AC8H16OOH10KJ -100.79524.31217.94272.71321.37362.5430.414730619.36954
AC8H17OHC8H17OH8KJ -373.67480.19200.41256.69307.73352423.13470.2569.99623.52881
AC8H17OC8H17O9KJ -149.62473.87199.7253.63302.46345.01413.76457.44555.8602.74781
BC8H17OHC8H17OH8KJ -390.62464.56204.22259.28309.11352.33422.37470.57567.48623.528729
BC8H17OC8H17O9KJ -166.56458.24203.51256.23303.84345.35413457.81553.29602.747729
CC8H17OHC8H17OH7KJ -400.74460.54207.4261.79310.49352.38422.25475.39564.17623.528729
CC8H17OC8H17O8KJ -176.69454.22206.69258.74305.22345.39412.88462.62549.99602.747729
DC8H17OHC8H17OH9KJ -373.67476.79200.41256.69307.73352423.13470.2569.99623.528243
DC8H17OC8H17O10KJ -149.62470.47199.7253.63302.46345.01413.76457.44555.8602.747243
IC8ETERAAC8H16O9KJ -196.86441.12179.12234.43286.6330.24394.97436.980586.11527
IC8ETERABC8H16O10KJ -221.08424.04174.56230.25282.8326.77392.54436.940586.11581
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