Chemical Properties of 2-Oxacholest-3-one

2-Oxacholest-3-one

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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
ΔfG° 102.84 kJ/mol Joback Calculated Property
ΔfH°gas -630.37 kJ/mol Joback Calculated Property
ΔfusH° 36.20 kJ/mol Joback Calculated Property
ΔvapH° 78.73 kJ/mol Joback Calculated Property
log10WS -6.97 Crippen Calculated Property
logPoct/wat 6.871 Crippen Calculated Property
McVol 341.200 ml/mol McGowan Calculated Property
Pc 1084.92 kPa Joback Calculated Property
Inp 3235.00 NIST
Tboil 922.95 K Joback Calculated Property
Tc 1155.70 K Joback Calculated Property
Tfus 536.81 K Joback Calculated Property
Vc 1.288 m3/kmol Joback Calculated Property

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. Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-. Isobornyl isovalerate.

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

Sources

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