Chemical Properties of «DELTA»7-Lithocholic acid, acetate-methyl ester

«DELTA»7-Lithocholic acid, acetate-methyl ester

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InChI
InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17,19-20,22-24H,6-7,9-16H2,1-5H3/t17-,19?,20-,22?,23?,24?,26+,27-/m0/s1
InChI Key
XLXMWIYYGVGNBF-FTMZEHMMSA-N
Formula
C27H42O4
SMILES
COC(=O)CCC(C)C1CCC2C3=CCC4CC(OC(C)=O)CCC4(C)C3CCC21C
Molecular Weight1
430.62
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Physical Properties

Property Value Unit Source
Δf -125.10 kJ/mol Joback Calculated Property
Δfgas -819.32 kJ/mol Joback Calculated Property
Δfus 41.23 kJ/mol Joback Calculated Property
Δvap 91.86 kJ/mol Joback Calculated Property
log10WS -6.70 Crippen Calculated Property
logPoct/wat 6.086 Crippen Calculated Property
McVol 358.430 ml/mol McGowan Calculated Property
Pc 1072.87 kPa Joback Calculated Property
Inp 3177.00 NIST
Tboil 1008.22 K Joback Calculated Property
Tc 1243.20 K Joback Calculated Property
Tfus 625.89 K Joback Calculated Property
Vc 1.357 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1362.45; 1566.09] J/mol×K [1008.22; 1243.20] Show Hide
Cp,gas 1362.45 J/mol×K 1008.22 Joback Calculated Property
Cp,gas 1393.49 J/mol×K 1047.38 Joback Calculated Property
Cp,gas 1425.24 J/mol×K 1086.55 Joback Calculated Property
Cp,gas 1458.04 J/mol×K 1125.71 Joback Calculated Property
Cp,gas 1492.23 J/mol×K 1164.88 Joback Calculated Property
Cp,gas 1528.14 J/mol×K 1204.04 Joback Calculated Property
Cp,gas 1566.09 J/mol×K 1243.20 Joback Calculated Property

Similar Compounds

Cholest-7-en-3-ol, acetate, (3«beta»)-. 22-Stigmastenol acetate. Stigmast-7-en-3-ol, acetate, (3«beta»,5«alpha»)-. Chondrillasterol acetate. Peposterol (7,24-Stigmastadienol) acetate. Lophenol acetate. 24-Methyllophenol acetate. 24-Ethyllophenol acetate, 24-«alpha». 24-Ethyllophenol acetate, 24-«beta». 28-Isoavenasterol acetate. Avenasterol acetate. 7,25-Sigmastadienol acetate. 7,24(28)-Ergostadienol acetate. Acanthasterol acetate. Stigmasta-7,22-dien-3-ol, acetate, (3«beta»,5«alpha»,22E)-.

Find more compounds similar to «DELTA»7-Lithocholic acid, acetate-methyl ester.

Sources

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