Chemical Properties of 22R-epi-28-Norhopanoic acid methyl ester

22R-epi-28-Norhopanoic acid methyl ester

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InChI
InChI=1S/C30H50O2/c1-19(26(31)32-7)20-9-10-22-21(20)13-17-29(5)23(22)11-12-25-28(4)16-8-15-27(2,3)24(28)14-18-30(25,29)6/h19-25H,8-18H2,1-7H3/t19-,20+,21+,22?,23?,24?,25?,28+,29-,30-/m0/s1
InChI Key
XPHZXWVRRHPDNR-CYCLJZHRSA-N
Formula
C30H50O2
SMILES
COC(=O)C(C)C1CCC2C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
Molecular Weight1
442.72
Sources

Physical Properties

Property Value Unit Source
Δf 136.00 kJ/mol Joback Calculated Property
Δfgas -626.31 kJ/mol Joback Calculated Property
Δfus 30.96 kJ/mol Joback Calculated Property
Δvap 85.59 kJ/mol Joback Calculated Property
logPoct/wat 7.90 Crippen Calculated Property
Pc 959.10 kPa Joback Calculated Property
Tboil 998.58 K Joback Calculated Property
Tc 1241.82 K Joback Calculated Property
Tfus 628.00 K Joback Calculated Property
Vc 1.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1545.48 J/mol×K 998.58 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 7
>C< (ring) 4
>C=O (nonring) 1
>CH- (ring) 6
-CH2- (ring) 11

Similar Compounds

22S-epi-28-Norhopanoic acid methyl ester. 22S-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester. 22R-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-dimethyl, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-dimethyl, methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-cyclopropano-, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-cyclopropano, methyl ester. Cyclocopacamphan-12-yl methyl ether, B. Cyclocopacamphan-12-yl methyl ether, A. Methyl cyclocopacamphanoate. 28-Norhomohopan-31-oic acid methyl ester. Bicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, methyl ester. 17.beta.(H),21.beta.(H)-Homohopanoic acid methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2,7,7-trimethyl, methyl ester.

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