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

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

InChI
InChI=1S/C21H29ClO4/c1-14(2)7-6-12-25-20(23)17-8-4-5-9-18(17)21(24)26-19-11-10-16(22)13-15(19)3/h10-11,13-14,17-18H,4-9,12H2,1-3H3
InChI Key
HISCKIQTJMXHFR-UHFFFAOYSA-N
Formula
C21H29ClO4
SMILES
Cc1cc(Cl)ccc1OC(=O)C1CCCCC1C(=O)OCCCC(C)C
Molecular Weight1
380.91
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Physical Properties

Property Value Unit Source
ΔfusH° 45.73 kJ/mol Joback Calculated Property
logPoct/wat 5.340 Crippen Calculated Property
McVol 299.250 ml/mol McGowan Calculated Property
Inp [2657.00; 2657.00]   Show Hide
Inp 2657.00 NIST
Inp 2657.00 NIST
Tfus 328.92 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [408.73; 994.89] 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-1.91470e+01
Coefficient B1.79966e+00
Coefficient C-8.75720e-04
Coefficient D9.01000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 408.73 J/mol×K 273.00 Calculated Property
Cp,gas 511.92 J/mol×K 353.78 Calculated Property
Cp,gas 604.93 J/mol×K 434.56 Calculated Property
Cp,gas 688.04 J/mol×K 515.33 Calculated Property
Cp,gas 761.55 J/mol×K 596.11 Calculated Property
Cp,gas 825.73 J/mol×K 676.89 Calculated Property
Cp,gas 880.87 J/mol×K 757.67 Calculated Property
Cp,gas 927.25 J/mol×K 838.44 Calculated Property
Cp,gas 965.17 J/mol×K 919.22 Calculated Property
Cp,gas 994.89 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0007348; 0.0000645] Pa×s [480.61; 774.12] 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-1.36324e+01
Coefficient B3.08386e+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.480.61
Temperature range, max.774.12
η 0.0007348 Pa×s 480.61 Calculated Property
η 0.0004888 Pa×s 513.22 Calculated Property
η 0.0003413 Pa×s 545.83 Calculated Property
η 0.0002482 Pa×s 578.45 Calculated Property
η 0.0001868 Pa×s 611.06 Calculated Property
η 0.0001446 Pa×s 643.67 Calculated Property
η 0.0001148 Pa×s 676.28 Calculated Property
η 0.0000931 Pa×s 708.89 Calculated Property
η 0.0000769 Pa×s 741.50 Calculated Property
η 0.0000645 Pa×s 774.12 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 ethyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl dodecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 2,5-dimethylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, butyl 4-chloro-3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, hexyl 3-methylphenyl ester. 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl pentyl ester.

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

Sources

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