Chemical Properties of Hexanoic acid, 3,5,5-trimethyl-, 3-chlorophenyl ester

Hexanoic acid, 3,5,5-trimethyl-, 3-chlorophenyl ester

InChI
InChI=1S/C15H21ClO2/c1-11(10-15(2,3)4)8-14(17)18-13-7-5-6-12(16)9-13/h5-7,9,11H,8,10H2,1-4H3
InChI Key
MNAZLQAHROGLQR-UHFFFAOYSA-N
Formula
C15H21ClO2
SMILES
CC(CC(=O)Oc1cccc(Cl)c1)CC(C)(C)C
Molecular Weight1
268.78
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Physical Properties

Property Value Unit Source
ΔfusH° 25.89 kJ/mol Joback Calculated Property
IE 8.74 eV Relay (1.0) Calculated Property
log10WS -5.58 Relay (1.0) Calculated Property
logPoct/wat 4.708 Crippen Calculated Property
McVol 218.130 ml/mol McGowan Calculated Property
Inp [1777.00; 1777.00]   Show Hide
Inp 1777.00 NIST
Inp 1777.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 [573.49; 657.81] J/mol×K [666.44; 880.74] Show Hide
Cp,gas 573.49 J/mol×K 666.44 Joback Calculated Property
Cp,gas 590.27 J/mol×K 702.16 Joback Calculated Property
Cp,gas 605.89 J/mol×K 737.87 Joback Calculated Property
Cp,gas 620.40 J/mol×K 773.59 Joback Calculated Property
Cp,gas 633.86 J/mol×K 809.31 Joback Calculated Property
Cp,gas 646.31 J/mol×K 845.02 Joback Calculated Property
Cp,gas 657.81 J/mol×K 880.74 Joback Calculated Property
η [0.0000884; 0.0023976] Pa×s [357.42; 666.44] Show Hide
η 0.0023976 Pa×s 357.42 Joback Calculated Property
η 0.0009781 Pa×s 408.92 Joback Calculated Property
η 0.0004876 Pa×s 460.43 Joback Calculated Property
η 0.0002797 Pa×s 511.93 Joback Calculated Property
η 0.0001776 Pa×s 563.43 Joback Calculated Property
η 0.0001216 Pa×s 614.94 Joback Calculated Property
η 0.0000884 Pa×s 666.44 Joback Calculated Property

Similar Compounds

Hexanoic acid, 3,5,5-trimethyl-, 2,3-dichlorophenyl ester. Glutaric acid, 2-(adamant-1-yl)ethyl 3-chlorophenyl ester. 1,2-Cyclohexanedicarboxylic acid, di(3-chlorophenyl) ester. 3-Cyclopentylpropionic acid, 3,4-dichlorophenyl ester. Hexanoic acid, 3,5,5-trimethyl-, 2-chloro-6-fluorophenyl ester. Sebacic acid, di(3-chlorophenyl) ester. Pimelic acid, di(3-chlorophenyl) ester. Sebacic acid, 3-chlorophenyl isohexyl ester. Cyclohexanecarboxylic acid, 3,4-dichlorophenyl ester. 2-Methylvaleric acid, 3,4-dichlorophenyl ester. Pimelic acid, 3-chlorophenyl 4-methyl-2-pentyl ester. 2-Methylpentanoic acid, 2,3-dichlorophenyl ester. 3-Cyclopentylpropionic acid, 4-chlorophenyl ester. Cyclopentanecarboxylic acid, 3,4-dichlorophenyl ester. Glutaric acid, 3-chlorophenyl isohexyl ester.

Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, 3-chlorophenyl ester.

Sources

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