Chemical Properties of Norcholic acid, acetate-methyl ester (CAS 64595-20-6)

Norcholic acid, acetate-methyl ester

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InChI
InChI=1S/C30H46O8/c1-16(12-27(34)35-7)22-8-9-23-28-24(15-26(30(22,23)6)38-19(4)33)29(5)11-10-21(36-17(2)31)13-20(29)14-25(28)37-18(3)32/h16,20-26,28H,8-15H2,1-7H3
InChI Key
ACMPEIVMCVNWOD-UHFFFAOYSA-N
Formula
C30H46O8
SMILES
COC(=O)CC(C)C1CCC2C3C(OC(C)=O)CC4CC(OC(C)=O)CCC4(C)C3CC(OC(C)=O)C12C
Molecular Weight1
534.68
CAS
64595-20-6
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Physical Properties

Property Value Unit Source
Δf -611.14 kJ/mol Joback Calculated Property
Δfgas -1478.17 kJ/mol Joback Calculated Property
Δfus 56.95 kJ/mol Joback Calculated Property
Δvap 114.97 kJ/mol Joback Calculated Property
log10WS -5.81 Crippen Calculated Property
logPoct/wat 4.859 Crippen Calculated Property
McVol 419.880 ml/mol McGowan Calculated Property
Pc 881.04 kPa Joback Calculated Property
Inp [3235.00; 3235.00]   Show Hide
Inp 3235.00 NIST
Inp 3235.00 NIST
Tboil 1211.29 K Joback Calculated Property
Tc 1486.93 K Joback Calculated Property
Tfus 778.02 K Joback Calculated Property
Vc 1.583 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1752.60; 2024.96] J/mol×K [1211.29; 1486.93] Show Hide
Cp,gas 1752.60 J/mol×K 1211.29 Joback Calculated Property
Cp,gas 1792.19 J/mol×K 1257.23 Joback Calculated Property
Cp,gas 1833.52 J/mol×K 1303.17 Joback Calculated Property
Cp,gas 1877.01 J/mol×K 1349.11 Joback Calculated Property
Cp,gas 1923.11 J/mol×K 1395.05 Joback Calculated Property
Cp,gas 1972.28 J/mol×K 1440.99 Joback Calculated Property
Cp,gas 2024.96 J/mol×K 1486.93 Joback Calculated Property

Similar Compounds

Homocholic acid, acetate-methyl ester. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. Norursodeoxycholic acid, acetate-methyl ester. Norchenodeoxycholic acid, acetate-methyl ester. 24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-. Homooursodeoxycholic acid, acetate-methyl ester. Homochenodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»)-. Isochenodeoxycholic acid, acetate-methyl ester. Isoursodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»)-. Cholan-24-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,12«alpha»)-.

Find more compounds similar to Norcholic acid, acetate-methyl ester.

Sources

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