Chemical Properties of exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2-methyl, methyl ester

exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2-methyl, methyl ester

InChI
InChI=1S/C10H16O2/c1-10(9(11)12-2)6-7-3-4-8(10)5-7/h7-8H,3-6H2,1-2H3/t7-,8+,10+/m0/s1
InChI Key
AINYFZUYWPYGJW-WEDXCCLWSA-N
Formula
C10H16O2
SMILES
COC(=O)[C@]1(C)C[C@H]2CC[C@@H]1C2
Molecular Weight1
168.24
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Physical Properties

Property Value Unit Source
ΔfH°gas -422.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.97 kJ/mol Joback Calculated Property
ΔvapH° 57.93 kJ/mol Relay (1.0) Calculated Property
IE 9.42 eV Relay (1.0) Calculated Property
logPoct/wat 1.986 Crippen Calculated Property
McVol 137.480 ml/mol McGowan Calculated Property
Inp 1156.00 NIST
I 1488.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [180.52; 518.59] 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-1.30450e+02
Coefficient B1.45664e+00
Coefficient C-1.29680e-03
Coefficient D4.89200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 180.52 J/mol×K 273.00 Calculated Property
Cp,gas 244.23 J/mol×K 353.78 Calculated Property
Cp,gas 297.80 J/mol×K 434.56 Calculated Property
Cp,gas 342.77 J/mol×K 515.33 Calculated Property
Cp,gas 380.68 J/mol×K 596.11 Calculated Property
Cp,gas 413.09 J/mol×K 676.89 Calculated Property
Cp,gas 441.53 J/mol×K 757.67 Calculated Property
Cp,gas 467.57 J/mol×K 838.44 Calculated Property
Cp,gas 492.74 J/mol×K 919.22 Calculated Property
Cp,gas 518.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2-methyl, 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, 2,7,7-trimethyl, methyl ester. Bicyclo[3.3.0]octane-1-carboxylic acid, methyl ester. 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 7-isopropyl-1,4a-dimethyltetradecahydrophenanthrene-1-carboxylate. 2-methyladamantane-1-carboxylic acid, methyl ester. cis-1-carbomethoxy-1,2-dimethylcyclohexane. trans-carbomethoxy-1,2-dimethylcyclohexane. 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, 7,7-cyclopropano-2-methyl, methyl ester. Bicyclo[2.2.1]heptan-1-carboxylic acid, methyl ester. Trachylobanic acid, methyl ester. [14C] GA25 16.alpha., 17-H2, 17-OH , methyl ester. Methyl olean-3-oxo-28-oate.

Find more compounds similar to exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2-methyl, methyl ester.

Sources

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