Chemical Properties of 1-Adamantanecarboxylic acid, 3,5-dimethylphenyl ester

1-Adamantanecarboxylic acid, 3,5-dimethylphenyl ester

InChI
InChI=1S/C19H24O2/c1-12-3-13(2)5-17(4-12)21-18(20)19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-11H2,1-2H3
InChI Key
FQRPDLFZZYNVAZ-UHFFFAOYSA-N
Formula
C19H24O2
SMILES
Cc1cc(C)cc(OC(=O)C23CC4CC(CC(C4)C2)C3)c1
Molecular Weight1
284.39
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Physical Properties

Property Value Unit Source
ΔfH°gas -443.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.68 kJ/mol Joback Calculated Property
IE 8.27 eV Relay (1.0) Calculated Property
log10WS -6.03 Relay (1.0) Calculated Property
logPoct/wat 4.425 Crippen Calculated Property
McVol 229.670 ml/mol McGowan Calculated Property
Inp 2240.00 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 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [716.25; 831.26] J/mol×K [749.24; 985.57] Show Hide
Cp,gas 716.25 J/mol×K 749.24 Joback Calculated Property
Cp,gas 737.05 J/mol×K 788.63 Joback Calculated Property
Cp,gas 756.86 J/mol×K 828.02 Joback Calculated Property
Cp,gas 775.95 J/mol×K 867.40 Joback Calculated Property
Cp,gas 794.54 J/mol×K 906.79 Joback Calculated Property
Cp,gas 812.90 J/mol×K 946.18 Joback Calculated Property
Cp,gas 831.26 J/mol×K 985.57 Joback Calculated Property

Similar Compounds

1-Adamantanecarboxylic acid, 3-methylphenyl ester. Cyclohexanecarboxylic acid, 3,5-dimethylphenyl ester. Cyclopentanecarboxylic acid, 3,5-dimethylphenyl ester. 3-Cyclopentylpropionic acid, 3,5-dimethylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, di(3,5-dimethylphenyl) ester. 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl ethyl ester. Cyclohexanecarboxylic acid, 3-methylphenyl ester. 1-Adamantanecarboxylic acid , 4-benzyloxyphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl propyl ester. 1-Adamantanecarboxylic acid, 4-cyanophenyl ester. Sebacic acid, 3,5-dimethylphenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl dodecyl ester. 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl octyl ester.

Find more compounds similar to 1-Adamantanecarboxylic acid, 3,5-dimethylphenyl ester.

Sources

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