Chemical Properties of 1-Adamantanecarboxylic acid, 4-chlorophenyl ester

1-Adamantanecarboxylic acid, 4-chlorophenyl ester

InChI
InChI=1S/C17H19ClO2/c18-14-1-3-15(4-2-14)20-16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2
InChI Key
BRFGISNTQUMEQO-UHFFFAOYSA-N
Formula
C17H19ClO2
SMILES
O=C(Oc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
Molecular Weight1
290.79
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -416.45 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.08 kJ/mol Joback Calculated Property
IE 8.51 eV Relay (1.0) Calculated Property
logPoct/wat 4.462 Crippen Calculated Property
McVol 213.730 ml/mol McGowan Calculated Property
Inp [2230.00; 2230.00]   Show Hide
Inp 2230.00 NIST
Inp 2230.00 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 [264.27; 746.17] 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-1.93770e+02
Coefficient B2.14090e+00
Coefficient C-1.88236e-03
Coefficient D6.81400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 264.27 J/mol×K 273.00 Calculated Property
Cp,gas 358.21 J/mol×K 353.78 Calculated Property
Cp,gas 437.02 J/mol×K 434.56 Calculated Property
Cp,gas 502.87 J/mol×K 515.33 Calculated Property
Cp,gas 557.89 J/mol×K 596.11 Calculated Property
Cp,gas 604.25 J/mol×K 676.89 Calculated Property
Cp,gas 644.10 J/mol×K 757.67 Calculated Property
Cp,gas 679.61 J/mol×K 838.44 Calculated Property
Cp,gas 712.91 J/mol×K 919.22 Calculated Property
Cp,gas 746.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Adamantanecarboxylic acid, 3,4-dichlorophenyl ester. 1-Adamantanecarboxylic acid, 4-methoxyphenyl ester. 1-Adamantanecarboxylic acid, 2-naphthyl ester. 1-Adamantanecarboxylic acid, 4-cyanophenyl ester. 1-Adamantanecarboxylic acid, 3-methylphenyl ester. 1-Adamantanecarboxylic acid, 4-nitrophenyl ester. Cyclopentanecarboxylic acid, 4-chlorophenyl ester. Cyclohexanecarboxylic acid, 3,4-dichlorophenyl ester. 3-Cyclopentylpropionic acid, 4-chlorophenyl ester. 2-Methylvaleric acid, 4-chlorophenyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chlorophenyl ethyl ester. Cyclohexanecarboxylic acid, 4-butyl-, 4-ethoxyphenyl ester, trans-. 1,2-Cyclohexanedicarboxylic acid, di(3-chlorophenyl) ester. Cyclopentanecarboxylic acid, 3,4-dichlorophenyl ester. Cyclohexanecarboxylic acid, 2,4,5-trichlorophenyl ester.

Find more compounds similar to 1-Adamantanecarboxylic acid, 4-chlorophenyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.