Chemical Properties of Homochenodeoxycholic acid, acetate-methyl ester

Homochenodeoxycholic acid, acetate-methyl ester

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InChI
InChI=1S/C30H48O6/c1-18(8-7-9-27(33)34-6)23-10-11-24-28-25(13-15-30(23,24)5)29(4)14-12-22(35-19(2)31)16-21(29)17-26(28)36-20(3)32/h18,21-26,28H,7-17H2,1-6H3/t18-,21?,22-,23?,24?,25?,26-,28?,29+,30-/m0/s1
InChI Key
FZQNQAANPWUHFK-MMRPWILXSA-N
Formula
C30H48O6
SMILES
COC(=O)CCCC(C)C1CCC2C3C(OC(C)=O)CC4CC(OC(C)=O)CCC4(C)C3CCC12C
Molecular Weight1
504.70
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Physical Properties

Property Value Unit Source
Δf -369.51 kJ/mol Joback Calculated Property
Δfgas -1213.03 kJ/mol Joback Calculated Property
Δfus 53.09 kJ/mol Joback Calculated Property
Δvap 106.12 kJ/mol Joback Calculated Property
log10WS -6.84 Crippen Calculated Property
logPoct/wat 6.098 Crippen Calculated Property
McVol 412.440 ml/mol McGowan Calculated Property
Pc 874.28 kPa Joback Calculated Property
Inp [3408.00; 3408.00]   Show Hide
Inp 3408.00 NIST
Inp 3408.00 NIST
Tboil 1139.67 K Joback Calculated Property
Tc 1395.58 K Joback Calculated Property
Tfus 710.10 K Joback Calculated Property
Vc 1.560 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1684.41; 1938.77] J/mol×K [1139.67; 1395.58] Show Hide
Cp,gas 1684.41 J/mol×K 1139.67 Joback Calculated Property
Cp,gas 1722.03 J/mol×K 1182.32 Joback Calculated Property
Cp,gas 1761.03 J/mol×K 1224.97 Joback Calculated Property
Cp,gas 1801.80 J/mol×K 1267.63 Joback Calculated Property
Cp,gas 1844.75 J/mol×K 1310.28 Joback Calculated Property
Cp,gas 1890.27 J/mol×K 1352.93 Joback Calculated Property
Cp,gas 1938.77 J/mol×K 1395.58 Joback Calculated Property

Similar Compounds

Homooursodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»)-. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»)-. Isoursodeoxycholic acid, acetate-methyl ester. Isochenodeoxycholic acid, acetate-methyl ester. Homocholic acid, acetate-methyl ester. Norchenodeoxycholic acid, acetate-methyl ester. Norursodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»,12«alpha»)-. Cholan-24-oic acid, 3,7,12-tris(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»,12«alpha»)-. 3«alpha»,7«alpha»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. 3«alpha»,7«beta»,12«beta»-Trihydroxy-5«beta»-cholanoic acid, acetate-methyl ester. Norcholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,6-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,6«alpha»)-. Murocholic acid, acetate-methyl ester.

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

Sources

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