Chemical Properties of 17«beta»(H),21«beta»(H)-Trishomohopanoic acid methyl ester

17«beta»(H),21«beta»(H)-Trishomohopanoic acid methyl ester

InChI
InChI=1S/C34H58O2/c1-23(11-9-12-29(35)36-8)24-15-20-31(4)25(24)16-21-33(6)27(31)13-14-28-32(5)19-10-18-30(2,3)26(32)17-22-34(28,33)7/h23-28H,9-22H2,1-8H3/t23?,24-,25+,26?,27?,28?,31+,32+,33-,34-/m0/s1
InChI Key
UAKBHIYWVXYFFB-GXVGMDOOSA-N
Formula
C34H58O2
SMILES
COC(=O)CCCC(C)C1CCC2(C)C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C
Molecular Weight1
498.82
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Physical Properties

Property Value Unit Source
ΔfusH° 36.60 kJ/mol Joback Calculated Property
logPoct/wat 9.457 Crippen Calculated Property
McVol 443.060 ml/mol McGowan Calculated Property
Inp [3941.00; 3941.00]   Show Hide
Inp 3941.00 NIST
Inp 3941.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [587.89; 1761.37] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-5.06487e+02
Coefficient B5.20896e+00
Coefficient C-4.94300e-03
Coefficient D2.00190e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 587.89 J/mol×K 273.00 Calculated Property
Cp,gas 806.31 J/mol×K 353.78 Calculated Property
Cp,gas 987.94 J/mol×K 434.56 Calculated Property
Cp,gas 1139.13 J/mol×K 515.33 Calculated Property
Cp,gas 1266.20 J/mol×K 596.11 Calculated Property
Cp,gas 1375.48 J/mol×K 676.89 Calculated Property
Cp,gas 1473.31 J/mol×K 757.67 Calculated Property
Cp,gas 1566.02 J/mol×K 838.44 Calculated Property
Cp,gas 1659.93 J/mol×K 919.22 Calculated Property
Cp,gas 1761.37 J/mol×K 1000.00 Calculated Property

Similar Compounds

Cholan-24-oic acid, methyl ester, (5«beta»)-. 17«alpha»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. 17«beta»(H),21«alpha»(H)-Bishomohopanoic acid methyl ester. 5«alpha»-Cholanic acid, methyl ester. 17«beta»(H),21«beta»(H)-Bishomohopanoic acid methyl ester. 28-bishomopan-32-oic acid methyl ester. Decalin-6«beta»-pentanoic acid, «gamma»,1,1,5«beta»,7«alpha»-pentamethyl, methyl ester, # 2. 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, # 1. 17«beta»(H),21«beta»(H)-Homohopanoic acid methyl ester. 28-Norhomohopan-31-oic 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. Cholan-24-oic acid, 3-oxo-, methyl ester, (5«beta»)-.

Find more compounds similar to 17«beta»(H),21«beta»(H)-Trishomohopanoic acid methyl ester.

Sources

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