Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester

InChI
InChI=1S/C21H27ClO4/c1-14(2)7-6-12-25-20(23)17-8-4-5-9-18(17)21(24)26-16-10-11-19(22)15(3)13-16/h4-5,10-11,13-14,17-18H,6-9,12H2,1-3H3
InChI Key
BQKFMTAKHDLQLJ-UHFFFAOYSA-N
Formula
C21H27ClO4
SMILES
Cc1cc(OC(=O)C2CC=CCC2C(=O)OCCCC(C)C)ccc1Cl
Molecular Weight1
378.90
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Physical Properties

Property Value Unit Source
ΔfusH° 46.95 kJ/mol Joback Calculated Property
logPoct/wat 5.116 Crippen Calculated Property
McVol 294.950 ml/mol McGowan Calculated Property
Inp [2670.00; 2670.00]   Show Hide
Inp 2670.00 NIST
Inp 2670.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [402.25; 963.59] 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-1.13670e+01
Coefficient B1.74366e+00
Coefficient C-8.63000e-04
Coefficient D9.43000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 402.25 J/mol×K 273.00 Calculated Property
Cp,gas 501.66 J/mol×K 353.78 Calculated Property
Cp,gas 591.12 J/mol×K 434.56 Calculated Property
Cp,gas 670.92 J/mol×K 515.33 Calculated Property
Cp,gas 741.36 J/mol×K 596.11 Calculated Property
Cp,gas 802.73 J/mol×K 676.89 Calculated Property
Cp,gas 855.35 J/mol×K 757.67 Calculated Property
Cp,gas 899.50 J/mol×K 838.44 Calculated Property
Cp,gas 935.48 J/mol×K 919.22 Calculated Property
Cp,gas 963.59 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0007186; 0.0000686] Pa×s [481.37; 774.29] 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-1.34457e+01
Coefficient B2.98810e+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.481.37
Temperature range, max.774.29
η 0.0007186 Pa×s 481.37 Calculated Property
η 0.0004850 Pa×s 513.92 Calculated Property
η 0.0003430 Pa×s 546.46 Calculated Property
η 0.0002523 Pa×s 579.01 Calculated Property
η 0.0001917 Pa×s 611.56 Calculated Property
η 0.0001497 Pa×s 644.10 Calculated Property
η 0.0001198 Pa×s 676.65 Calculated Property
η 0.0000978 Pa×s 709.20 Calculated Property
η 0.0000813 Pa×s 741.74 Calculated Property
η 0.0000686 Pa×s 774.29 Calculated Property

Similar Compounds

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl hexyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 4-chloro-3-methylphenyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl heptyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl tetradecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl nonyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl dodecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl tridecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl octyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl decyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl propyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl isobutyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl ethyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(4-chloro-3-methylphenyl) ester. 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester.

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl isohexyl ester.

Sources

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