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

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

InChI
InChI=1S/C21H27ClO4/c1-3-4-5-8-13-25-20(23)17-9-6-7-10-18(17)21(24)26-16-11-12-19(22)15(2)14-16/h6-7,11-12,14,17-18H,3-5,8-10,13H2,1-2H3
InChI Key
UFKCGOZAOHSYHY-UHFFFAOYSA-N
Formula
C21H27ClO4
SMILES
CCCCCCOC(=O)C1CC=CCC1C(=O)Oc1ccc(Cl)c(C)c1
Molecular Weight1
378.90
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° 50.47 kJ/mol Joback Calculated Property
logPoct/wat 5.260 Crippen Calculated Property
McVol 294.950 ml/mol McGowan Calculated Property
Inp [2707.00; 2707.00]   Show Hide
Inp 2707.00 NIST
Inp 2707.00 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 [402.57; 963.06] 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-9.68500e+00
Coefficient B1.73774e+00
Coefficient C-8.59800e-04
Coefficient D9.48000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 402.57 J/mol×K 273.00 Calculated Property
Cp,gas 501.67 J/mol×K 353.78 Calculated Property
Cp,gas 590.88 J/mol×K 434.56 Calculated Property
Cp,gas 670.47 J/mol×K 515.33 Calculated Property
Cp,gas 740.75 J/mol×K 596.11 Calculated Property
Cp,gas 802.03 J/mol×K 676.89 Calculated Property
Cp,gas 854.60 J/mol×K 757.67 Calculated Property
Cp,gas 898.76 J/mol×K 838.44 Calculated Property
Cp,gas 934.81 J/mol×K 919.22 Calculated Property
Cp,gas 963.06 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0006311; 0.0000753] Pa×s [496.37; 772.86] 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-1.33117e+01
Coefficient B2.95028e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.496.37
Temperature range, max.772.86
η 0.0006311 Pa×s 496.37 Calculated Property
η 0.0004463 Pa×s 527.09 Calculated Property
η 0.0003279 Pa×s 557.81 Calculated Property
η 0.0002488 Pa×s 588.53 Calculated Property
η 0.0001940 Pa×s 619.26 Calculated Property
η 0.0001549 Pa×s 649.98 Calculated Property
η 0.0001262 Pa×s 680.70 Calculated Property
η 0.0001047 Pa×s 711.42 Calculated Property
η 0.0000882 Pa×s 742.14 Calculated Property
η 0.0000753 Pa×s 772.86 Calculated Property

Similar Compounds

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 octyl 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 heptyl 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 tridecyl 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 pentyl 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 isohexyl 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 pentyl ester.

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl hexyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.