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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 2-methylpent-3-yl ester

InChI
InChI=1S/C20H34O4/c1-5-7-8-11-14-23-19(21)16-12-9-10-13-17(16)20(22)24-18(6-2)15(3)4/h9-10,15-18H,5-8,11-14H2,1-4H3
InChI Key
RFZKOYQLSBPIEQ-UHFFFAOYSA-N
Formula
C20H34O4
SMILES
CCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C
Molecular Weight1
338.49
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Physical Properties

Property Value Unit Source
ΔfusH° 43.38 kJ/mol Joback Calculated Property
log10WS -4.71 Relay (1.0) Calculated Property
logPoct/wat 4.670 Crippen Calculated Property
McVol 292.380 ml/mol McGowan Calculated Property
Inp [2237.00; 2237.00]   Show Hide
Inp 2237.00 NIST
Inp 2237.00 NIST
Tboil 613.31 K Relay (1.0) Calculated Property
Tfus 272.74 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [419.47; 1028.88] 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-1.97240e+01
Coefficient B1.84568e+00
Coefficient C-8.94280e-04
Coefficient D9.72000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 419.47 J/mol×K 273.00 Calculated Property
Cp,gas 525.61 J/mol×K 353.78 Calculated Property
Cp,gas 621.43 J/mol×K 434.56 Calculated Property
Cp,gas 707.23 J/mol×K 515.33 Calculated Property
Cp,gas 783.31 J/mol×K 596.11 Calculated Property
Cp,gas 850.00 J/mol×K 676.89 Calculated Property
Cp,gas 907.59 J/mol×K 757.67 Calculated Property
Cp,gas 956.40 J/mol×K 838.44 Calculated Property
Cp,gas 996.72 J/mol×K 919.22 Calculated Property
Cp,gas 1028.88 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0026526; 0.0000840] Pa×s [373.72; 686.99] 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-1.35035e+01
Coefficient B2.82954e+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.373.72
Temperature range, max.686.99
η 0.0026526 Pa×s 373.72 Calculated Property
η 0.0013916 Pa×s 408.53 Calculated Property
η 0.0008079 Pa×s 443.34 Calculated Property
η 0.0005076 Pa×s 478.14 Calculated Property
η 0.0003397 Pa×s 512.95 Calculated Property
η 0.0002393 Pa×s 547.76 Calculated Property
η 0.0001757 Pa×s 582.57 Calculated Property
η 0.0001336 Pa×s 617.37 Calculated Property
η 0.0001046 Pa×s 652.18 Calculated Property
η 0.0000840 Pa×s 686.99 Calculated Property

Similar Compounds

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl nonyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl octyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl pentadecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl undecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl 2-methylpent-3-yl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-methylpent-3-yl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl 2-methylpent-3-yl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylpent-3-yl) ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 2-methylbutyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl octyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl pentyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl hexyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-ethylbutyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl tridecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl undecyl ester.

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexyl 2-methylpent-3-yl ester.

Sources

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