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

1,2-Cyclohexanedicarboxylic acid, 4-chloro-2-methylphenyl ethyl ester

InChI
InChI=1S/C17H21ClO4/c1-3-21-16(19)13-6-4-5-7-14(13)17(20)22-15-9-8-12(18)10-11(15)2/h8-10,13-14H,3-7H2,1-2H3
InChI Key
GRWFKACOLDDLBX-UHFFFAOYSA-N
Formula
C17H21ClO4
SMILES
CCOC(=O)C1CCCCC1C(=O)Oc1ccc(Cl)cc1C
Molecular Weight1
324.80
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Physical Properties

Property Value Unit Source
ΔfusH° 38.89 kJ/mol Joback Calculated Property
log10WS -4.78 Relay (1.0) Calculated Property
logPoct/wat 3.923 Crippen Calculated Property
McVol 242.890 ml/mol McGowan Calculated Property
Inp [2321.00; 2321.00]   Show Hide
Inp 2321.00 NIST
Inp 2321.00 NIST
Tfus 326.62 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [324.19; 787.99] 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-1.38290e+01
Coefficient B1.41374e+00
Coefficient C-6.54920e-04
Coefficient D4.30000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.19 J/mol×K 273.00 Calculated Property
Cp,gas 406.26 J/mol×K 353.78 Calculated Property
Cp,gas 480.37 J/mol×K 434.56 Calculated Property
Cp,gas 546.68 J/mol×K 515.33 Calculated Property
Cp,gas 605.30 J/mol×K 596.11 Calculated Property
Cp,gas 656.38 J/mol×K 676.89 Calculated Property
Cp,gas 700.05 J/mol×K 757.67 Calculated Property
Cp,gas 736.46 J/mol×K 838.44 Calculated Property
Cp,gas 765.72 J/mol×K 919.22 Calculated Property
Cp,gas 787.99 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0009714; 0.0001090] Pa×s [450.53; 714.28] 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-1.28618e+01
Coefficient B2.66940e+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.450.53
Temperature range, max.714.28
η 0.0009714 Pa×s 450.53 Calculated Property
η 0.0006765 Pa×s 479.84 Calculated Property
η 0.0004911 Pa×s 509.14 Calculated Property
η 0.0003692 Pa×s 538.45 Calculated Property
η 0.0002858 Pa×s 567.75 Calculated Property
η 0.0002269 Pa×s 597.06 Calculated Property
η 0.0001841 Pa×s 626.36 Calculated Property
η 0.0001522 Pa×s 655.67 Calculated Property
η 0.0001278 Pa×s 684.98 Calculated Property
η 0.0001090 Pa×s 714.28 Calculated Property

Similar Compounds

1,2-Cyclohexanedicarboxylic acid, 4-chloro-2-methylphenyl decyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-2-methylphenyl isobutyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-2-methylphenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl ethyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl ethyl ester. 1,2-Cyclohexanedicarboxylic acid, di(4-chloro-2-methylphenyl) ester. 1,2-Cyclohexanedicarboxylic acid, butyl 2,5-dimethylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl dodecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, ethyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl propyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 4-chloro-3-methylphenyl ester.

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-chloro-2-methylphenyl ethyl ester.

Sources

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