Chemical Properties of 28-Norhomohopan-31-oic acid methyl ester

28-Norhomohopan-31-oic acid methyl ester

InChI
InChI=1S/C31H52O2/c1-20(19-27(32)33-7)21-9-10-23-22(21)13-17-30(5)24(23)11-12-26-29(4)16-8-15-28(2,3)25(29)14-18-31(26,30)6/h20-26H,8-19H2,1-7H3/t20?,21-,22+,23?,24?,25?,26?,29+,30-,31-/m1/s1
InChI Key
AYLCQMKAZURMNK-GLUWJVINSA-N
Formula
C31H52O2
SMILES
COC(=O)CC(C)[C@H]1CCC2C3CCC4[C@@]5(C)CCCC(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@H]21
Molecular Weight1
456.75
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 33.55 kJ/mol Joback Calculated Property
logPoct/wat 8.287 Crippen Calculated Property
McVol 400.790 ml/mol McGowan Calculated Property
Inp 3541.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1623.86; 1988.48] J/mol×K [1021.46; 1264.14] Show Hide
Cp,gas 1623.86 J/mol×K 1021.46 Joback Calculated Property
Cp,gas 1673.59 J/mol×K 1061.91 Joback Calculated Property
Cp,gas 1726.86 J/mol×K 1102.35 Joback Calculated Property
Cp,gas 1784.32 J/mol×K 1142.80 Joback Calculated Property
Cp,gas 1846.64 J/mol×K 1183.25 Joback Calculated Property
Cp,gas 1914.47 J/mol×K 1223.69 Joback Calculated Property
Cp,gas 1988.48 J/mol×K 1264.14 Joback Calculated Property

Similar Compounds

17«beta»(H),21«beta»(H)-Homohopanoic acid methyl ester. Decalin-6«beta»-pentanoic acid, «beta»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 1. Decalin-6«beta»-pentanoic acid, «beta»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 2. Decalin-6«beta»-pentanoic acid, «beta»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 3. 28-bishomopan-32-oic acid methyl ester. 17«beta»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. Cholan-24-oic acid, methyl ester, (5«beta»)-. 5«alpha»-Cholanic acid, methyl ester. 17«alpha»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. 17«beta»(H),21«alpha»(H)-Bishomohopanoic acid methyl ester. 17«beta»(H),21«beta»(H)-Trishomohopanoic acid methyl ester. Decalin-6«beta»-pentanoic acid, «gamma»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 1. Decalin-6«beta»-pentanoic acid, «gamma»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 3. Decalin-6«beta»-pentanoic acid, «gamma»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 2. Cholan-24-oic acid, 3-oxo-, methyl ester, (5«beta»)-.

Find more compounds similar to 28-Norhomohopan-31-oic acid methyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.