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
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
ΔfusH° 35.18 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 [787.06; 860.52] J/mol×K [847.35; 1076.90] Show Hide
Cp,gas 787.06 J/mol×K 847.35 Joback Calculated Property
Cp,gas 803.15 J/mol×K 885.61 Joback Calculated Property
Cp,gas 817.66 J/mol×K 923.87 Joback Calculated Property
Cp,gas 830.63 J/mol×K 962.12 Joback Calculated Property
Cp,gas 842.09 J/mol×K 1000.38 Joback Calculated Property
Cp,gas 852.04 J/mol×K 1038.64 Joback Calculated Property
Cp,gas 860.52 J/mol×K 1076.90 Joback Calculated Property
η [0.0000771; 0.0008267] Pa×s [493.94; 847.35] Show Hide
η 0.0008267 Pa×s 493.94 Joback Calculated Property
η 0.0004510 Pa×s 552.84 Joback Calculated Property
η 0.0002765 Pa×s 611.74 Joback Calculated Property
η 0.0001847 Pa×s 670.64 Joback Calculated Property
η 0.0001317 Pa×s 729.55 Joback Calculated Property
η 0.0000988 Pa×s 788.45 Joback Calculated Property
η 0.0000771 Pa×s 847.35 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

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.