Chemical Properties of koprostan-3-one

koprostan-3-one

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InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19?,20-,22?,23-,24?,25?,26+,27-/m0/s1
InChI Key
PESKGJQREUXSRR-WSDUGZDCSA-N
Formula
C27H46O
SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
Molecular Weight1
386.65
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Physical Properties

Property Value Unit Source
Δf 197.38 kJ/mol Joback Calculated Property
Δfgas -519.01 kJ/mol Joback Calculated Property
Δfus 30.81 kJ/mol Joback Calculated Property
Δvap 76.45 kJ/mol Joback Calculated Property
log10WS -7.81 Crippen Calculated Property
logPoct/wat 7.677 Crippen Calculated Property
McVol 349.420 ml/mol McGowan Calculated Property
Pc 1025.31 kPa Joback Calculated Property
Inp [498.40; 3073.00]   Show Hide
Inp 3073.00 NIST
Inp 498.40 NIST
Inp 3073.00 NIST
Inp 498.40 NIST
Tboil 918.88 K Joback Calculated Property
Tc 1150.52 K Joback Calculated Property
Tfus 521.51 K Joback Calculated Property
Vc 1.323 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1308.06; 1505.29] J/mol×K [918.88; 1150.52] Show Hide
Cp,gas 1308.06 J/mol×K 918.88 Joback Calculated Property
Cp,gas 1339.92 J/mol×K 957.49 Joback Calculated Property
Cp,gas 1371.74 J/mol×K 996.09 Joback Calculated Property
Cp,gas 1403.86 J/mol×K 1034.70 Joback Calculated Property
Cp,gas 1436.61 J/mol×K 1073.31 Joback Calculated Property
Cp,gas 1470.31 J/mol×K 1111.92 Joback Calculated Property
Cp,gas 1505.29 J/mol×K 1150.52 Joback Calculated Property

Similar Compounds

Cholestan-3-one, (5«alpha»)-. Cholestan-3-one, (5«beta»)-. Cholestan-3-one. 5«alpha»-Stigmastan-3-one. 5«alpha»-Stigmastan-3-one. Androstan-3-one, (5«alpha»)-. Androstan-16-one, (5«alpha»)-. 2H-Inden-2-one, octahydro-3a-methyl-, cis-. 2H-Inden-2-one, octahydro-3a-methyl-, trans-. 22-Ketocholest-3-one. 2(1H)-Naphthalenone, octahydro-8a-methyl-, trans-. 6,6,10-Trimethyldecal-2-one. 3,3,4,5-tetramethylcyclohexan-1-one. Spiro[4.5]decan-7-one, 1,8-dimethyl-4-(1-methylethyl)-. Lanostan-3-one.

Find more compounds similar to koprostan-3-one.

Sources

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