Chemical Properties of Trachylobanic acid, methyl ester

Trachylobanic acid, methyl ester

InChI
InChI=1S/C21H32O2/c1-18-7-5-8-19(2,17(22)23-4)15(18)6-9-21-11-14-13(10-16(18)21)20(14,3)12-21/h13-16H,5-12H2,1-4H3/t13-,14?,15?,16?,18-,19-,20-,21+/m1/s1
InChI Key
DBYBRADCKQFKPC-SGLDGZOLSA-N
Formula
C21H32O2
SMILES
COC(=O)[C@]1(C)CCC[C@@]2(C)C3C[C@@H]4C5C[C@@]3(CCC21)C[C@@]54C
Molecular Weight1
316.48
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Physical Properties

Property Value Unit Source
ΔfusH° 21.11 kJ/mol Joback Calculated Property
logPoct/wat 4.818 Crippen Calculated Property
McVol 259.890 ml/mol McGowan Calculated Property
Inp [2278.00; 2278.00]   Show Hide
Inp 2278.00 NIST
Inp 2278.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [336.29; 1060.61] 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-4.29270e+02
Coefficient B3.77708e+00
Coefficient C-4.04280e-03
Coefficient D1.75560e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 336.29 J/mol×K 273.00 Calculated Property
Cp,gas 478.72 J/mol×K 353.78 Calculated Property
Cp,gas 592.71 J/mol×K 434.56 Calculated Property
Cp,gas 683.81 J/mol×K 515.33 Calculated Property
Cp,gas 757.57 J/mol×K 596.11 Calculated Property
Cp,gas 819.54 J/mol×K 676.89 Calculated Property
Cp,gas 875.28 J/mol×K 757.67 Calculated Property
Cp,gas 930.34 J/mol×K 838.44 Calculated Property
Cp,gas 990.26 J/mol×K 919.22 Calculated Property
Cp,gas 1060.61 J/mol×K 1000.00 Calculated Property

Similar Compounds

exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-cyclopropano-2-methyl, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-cyclopropano-2-methyl, methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2,7,7-trimethyl, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2,7,7-trimethyl, methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2-methyl, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2-methyl, methyl ester. Methyl 7-isopropyl-1,4a-dimethyltetradecahydrophenanthrene-1-carboxylate. 1-Phenanthrenecarboxylic acid, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,8a«beta»,10a«alpha»)]-. Methyl cyclocopacamphanoate. Cyclocopacamphan-12-yl methyl ether, A. Cyclocopacamphan-12-yl methyl ether, B. Bicyclo[3.3.0]octane-1-carboxylic acid, methyl ester. 2-methyladamantane-1-carboxylic acid, methyl ester. cis-1-carbomethoxy-1,2-dimethylcyclohexane. trans-carbomethoxy-1,2-dimethylcyclohexane.

Find more compounds similar to Trachylobanic acid, methyl ester.

Sources

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