Chemical Properties of 5,7-dimethyladamantane-1,3-dicarboxylic acid, dimethyl ester

5,7-dimethyladamantane-1,3-dicarboxylic acid, dimethyl ester

InChI
InChI=1S/C16H24O4/c1-13-5-14(2)8-15(6-13,11(17)19-3)10-16(7-13,9-14)12(18)20-4/h5-10H2,1-4H3/t13-,14+,15+,16-
InChI Key
VFSOMLCPYKZNBM-SYMSYNOKSA-N
Formula
C16H24O4
SMILES
COC(=O)C12CC3(C)CC(C)(C1)CC(C(=O)OC)(C3)C2
Molecular Weight1
280.36
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Physical Properties

Property Value Unit Source
ΔfH°gas -854.59 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.12 kJ/mol Joback Calculated Property
IE 9.28 eV Relay (1.0) Calculated Property
logPoct/wat 2.699 Crippen Calculated Property
McVol 218.600 ml/mol McGowan Calculated Property
Inp [1769.00; 1795.00]   Show Hide
Inp 1769.00 NIST
Inp 1777.00 NIST
Inp 1784.00 NIST
Inp 1795.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [288.91; 837.97] 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-3.10710e+02
Coefficient B2.99848e+00
Coefficient C-3.34660e-03
Coefficient D1.49680e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 288.91 J/mol×K 273.00 Calculated Property
Cp,gas 397.51 J/mol×K 353.78 Calculated Property
Cp,gas 483.16 J/mol×K 434.56 Calculated Property
Cp,gas 550.60 J/mol×K 515.33 Calculated Property
Cp,gas 604.57 J/mol×K 596.11 Calculated Property
Cp,gas 649.80 J/mol×K 676.89 Calculated Property
Cp,gas 691.02 J/mol×K 757.67 Calculated Property
Cp,gas 732.97 J/mol×K 838.44 Calculated Property
Cp,gas 780.37 J/mol×K 919.22 Calculated Property
Cp,gas 837.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

3,5-dimethyladamantane-1-carboxylic acid, methyl ester. 3-ethyladamantane-1-carboxylic acid, methyl ester. Adamantan-1-carboxylic acid, methyl ester. Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester. Cyclohexanecarboxylic acid, 1-propyl-, methyl ester. 4e-methyladamantane-1e-carboxylic acid, methyl ester. 4a-methyladamantane-1e-carboxylic acid, methyl ester. Cyclohexanecarboxylic acid, 1-butyl-, methyl ester. cis-1-carbomethoxy-1,3-dimethylcyclohexane. trans-carbomethoxy-1,3-dimethylcyclohexane. Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester. Hexanoic acid, 2-methyl-2-propyl-, methyl ester. Heptanoic acid, 2-ethyl-2-methyl, methyl ester. Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester. Hexanoic acid, 2-ethyl-2-methyl, methyl ester.

Find more compounds similar to 5,7-dimethyladamantane-1,3-dicarboxylic acid, dimethyl ester.

Sources

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