Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester

1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester

InChI
InChI=1S/C20H27ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-15-10-11-18(21)14(2)13-15/h10-11,13,16-17H,3-9,12H2,1-2H3
InChI Key
WKQMDOFIKIRICE-UHFFFAOYSA-N
Formula
C20H27ClO4
SMILES
CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(Cl)c(C)c1
Molecular Weight1
366.88
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° 46.66 kJ/mol Joback Calculated Property
logPoct/wat 5.094 Crippen Calculated Property
McVol 285.160 ml/mol McGowan Calculated Property
Inp [2612.00; 2612.00]   Show Hide
Inp 2612.00 NIST
Inp 2612.00 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, Ionization energy, 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 [387.83; 942.76] 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-1.65560e+01
Coefficient B1.69874e+00
Coefficient C-8.18120e-04
Coefficient D7.87000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 387.83 J/mol×K 273.00 Calculated Property
Cp,gas 485.51 J/mol×K 353.78 Calculated Property
Cp,gas 573.61 J/mol×K 434.56 Calculated Property
Cp,gas 652.37 J/mol×K 515.33 Calculated Property
Cp,gas 722.03 J/mol×K 596.11 Calculated Property
Cp,gas 782.86 J/mol×K 676.89 Calculated Property
Cp,gas 835.10 J/mol×K 757.67 Calculated Property
Cp,gas 879.00 J/mol×K 838.44 Calculated Property
Cp,gas 914.80 J/mol×K 919.22 Calculated Property
Cp,gas 942.76 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0007157; 0.0000795] Pa×s [484.34; 757.44] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.33370e+01
Coefficient B2.95188e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.484.34
Temperature range, max.757.44
η 0.0007157 Pa×s 484.34 Calculated Property
η 0.0004996 Pa×s 514.68 Calculated Property
η 0.0003631 Pa×s 545.03 Calculated Property
η 0.0002729 Pa×s 575.37 Calculated Property
η 0.0002110 Pa×s 605.72 Calculated Property
η 0.0001672 Pa×s 636.06 Calculated Property
η 0.0001354 Pa×s 666.41 Calculated Property
η 0.0001116 Pa×s 696.75 Calculated Property
η 0.0000935 Pa×s 727.09 Calculated Property
η 0.0000795 Pa×s 757.44 Calculated Property

Similar Compounds

1,2-Cyclohexanedicarboxylic acid, butyl 4-chloro-3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, dodecyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, hexyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, heptyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, decyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl ethyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-methylphenyl ester.

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl pentyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.