Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl isobutyl ester

1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl isobutyl ester

InChI
InChI=1S/C18H23ClO4/c1-12(2)11-22-17(20)15-8-3-4-9-16(15)18(21)23-14-7-5-6-13(19)10-14/h5-7,10,12,15-16H,3-4,8-9,11H2,1-2H3
InChI Key
KTECVHABHIPEJX-UHFFFAOYSA-N
Formula
C18H23ClO4
SMILES
CC(C)COC(=O)C1CCCCC1C(=O)Oc1cccc(Cl)c1
Molecular Weight1
338.83
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Physical Properties

Property Value Unit Source
ΔfusH° 38.35 kJ/mol Joback Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
log10WS -5.21 Relay (1.0) Calculated Property
logPoct/wat 4.251 Crippen Calculated Property
McVol 256.980 ml/mol McGowan Calculated Property
Inp [2366.00; 2366.00]   Show Hide
Inp 2366.00 NIST
Inp 2366.00 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 [775.67; 851.90] J/mol×K [811.41; 1037.58] Show Hide
Cp,gas 775.67 J/mol×K 811.41 Joback Calculated Property
Cp,gas 792.39 J/mol×K 849.10 Joback Calculated Property
Cp,gas 807.47 J/mol×K 886.80 Joback Calculated Property
Cp,gas 820.94 J/mol×K 924.49 Joback Calculated Property
Cp,gas 832.82 J/mol×K 962.19 Joback Calculated Property
Cp,gas 843.13 J/mol×K 999.88 Joback Calculated Property
Cp,gas 851.90 J/mol×K 1037.58 Joback Calculated Property
η [0.0000594; 0.0012585] Pa×s [434.28; 811.41] Show Hide
η 0.0012585 Pa×s 434.28 Joback Calculated Property
η 0.0005485 Pa×s 497.13 Joback Calculated Property
η 0.0002880 Pa×s 559.99 Joback Calculated Property
η 0.0001723 Pa×s 622.84 Joback Calculated Property
η 0.0001132 Pa×s 685.70 Joback Calculated Property
η 0.0000798 Pa×s 748.55 Joback Calculated Property
η 0.0000594 Pa×s 811.41 Joback Calculated Property

Similar Compounds

1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 3-chlorophenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl hexyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chlorophenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl ethyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 2,5-dichlorophenyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl hexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl heptyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl octyl ester.

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl isobutyl ester.

Sources

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