Chemical Properties of Bicyclo[2.2.1]heptan-1-carboxylic acid, methyl ester

Bicyclo[2.2.1]heptan-1-carboxylic acid, methyl ester

InChI
InChI=1S/C9H14O2/c1-11-8(10)9-4-2-7(6-9)3-5-9/h7H,2-6H2,1H3
InChI Key
ICBCULSDMSBNNZ-UHFFFAOYSA-N
Formula
C9H14O2
SMILES
COC(=O)C12CCC(CC1)C2
Molecular Weight1
154.21
Other Names
  • Methyl bicyclo(2.2.1)heptane-1-carboxylate
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Physical Properties

Property Value Unit Source
ΔfH°gas -391.49 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.31 kJ/mol Joback Calculated Property
IE 9.70 eV Relay (1.0) Calculated Property
logPoct/wat 1.740 Crippen Calculated Property
McVol 123.390 ml/mol McGowan Calculated Property
Inp [1092.00; 1120.00]   Show Hide
Inp 1120.00 NIST
Inp 1092.00 NIST
I 1487.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 325.50 ± 0.50 K 0.24 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [157.04; 460.34] 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-1.35480e+02
Coefficient B1.38812e+00
Coefficient C-1.29780e-03
Coefficient D5.05500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 157.04 J/mol×K 273.00 Calculated Property
Cp,gas 215.56 J/mol×K 353.78 Calculated Property
Cp,gas 264.14 J/mol×K 434.56 Calculated Property
Cp,gas 304.39 J/mol×K 515.33 Calculated Property
Cp,gas 337.90 J/mol×K 596.11 Calculated Property
Cp,gas 366.27 J/mol×K 676.89 Calculated Property
Cp,gas 391.10 J/mol×K 757.67 Calculated Property
Cp,gas 413.99 J/mol×K 838.44 Calculated Property
Cp,gas 436.54 J/mol×K 919.22 Calculated Property
Cp,gas 460.34 J/mol×K 1000.00 Calculated Property

Similar Compounds

Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester. trans-carbomethoxy-1,3-dimethylcyclohexane. cis-1-carbomethoxy-1,3-dimethylcyclohexane. Adamantan-1-carboxylic acid, methyl ester. 3-ethyladamantane-1-carboxylic acid, methyl ester. cis-1-carbomethoxy-1,4-dimethylcyclohexane. trans-carbomethoxy-1,4-dimethylcyclohexane. 4e-methyladamantane-1e-carboxylic acid, methyl ester. 4a-methyladamantane-1e-carboxylic acid, 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. 3,5-dimethyladamantane-1-carboxylic acid, methyl ester. Bicyclo[3.3.0]octane-1-carboxylic acid, 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.

Find more compounds similar to Bicyclo[2.2.1]heptan-1-carboxylic acid, methyl ester.

Sources

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