Chemical Properties of 2-Oxacholest-3-one

2-Oxacholest-3-one

InChI
InChI=1S/C26H44O2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(27)28-16-26(19,5)23(20)13-14-25(21,22)4/h17-23H,6-16H2,1-5H3/t18?,19?,20?,21-,22?,23?,25-,26+/m0/s1
InChI Key
RCHXZNSUHOCQEX-WXRZGQSWSA-N
Formula
C26H44O2
SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)OCC4(C)C3CCC12C
Molecular Weight1
388.63
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Physical Properties

Property Value Unit Source
ΔfusH° 36.20 kJ/mol Joback Calculated Property
ΔvapH° 123.09 kJ/mol Relay (1.0) Calculated Property
log10WS -7.22 Relay (1.0) Calculated Property
logPoct/wat 6.871 Crippen Calculated Property
McVol 341.200 ml/mol McGowan Calculated Property
Tboil 703.94 K Relay (1.0) Calculated Property
Tfus 395.98 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1281.20; 1474.49] J/mol×K [922.95; 1155.70] Show Hide
Cp,gas 1281.20 J/mol×K 922.95 Joback Calculated Property
Cp,gas 1312.25 J/mol×K 961.74 Joback Calculated Property
Cp,gas 1343.33 J/mol×K 1000.53 Joback Calculated Property
Cp,gas 1374.77 J/mol×K 1039.32 Joback Calculated Property
Cp,gas 1406.89 J/mol×K 1078.12 Joback Calculated Property
Cp,gas 1440.02 J/mol×K 1116.91 Joback Calculated Property
Cp,gas 1474.49 J/mol×K 1155.70 Joback Calculated Property

Similar Compounds

Cyclopentaneacetic acid, 2-(hydroxymethyl)-3-methyl-, «delta»-lactone. 8-Hydroxyisobornyl isobutyrate. 17-epi-Oxandrolone. Oxandrolone. 3-Cyclopentylpropionic acid, 1-adamantylmethyl ester. Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«alpha»,7«alpha»,7a«alpha»)-. Iridomyrmecin. 1,2,4-Cyclohexanetricarboxylic acid, 2,2,4-trimethylpentyl ester. Azelaic acid, bis(2,2,4-trimethyl pentyl) ester. Hexanoic acid, 3,5,5-trimethyl-, cyclohexylmethyl ester. Hexanoic acid, 3,5,5-trimethyl-, 2-ethylhexyl ester. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. Bornyl isovalerate. Isobornyl isovalerate. Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-.

Find more compounds similar to 2-Oxacholest-3-one.

Sources

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