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

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

InChI
InChI=1S/C25H44O4/c1-5-7-8-9-10-11-12-13-16-19-28-24(26)21-17-14-15-18-22(21)25(27)29-23(6-2)20(3)4/h14-15,20-23H,5-13,16-19H2,1-4H3
InChI Key
AFADIWIYBCMZSY-UHFFFAOYSA-N
Formula
C25H44O4
SMILES
CCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C
Molecular Weight1
408.61
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Physical Properties

Property Value Unit Source
ΔfusH° 56.33 kJ/mol Joback Calculated Property
log10WS -6.26 Relay (1.0) Calculated Property
logPoct/wat 6.621 Crippen Calculated Property
McVol 362.830 ml/mol McGowan Calculated Property
Inp [2733.00; 2733.00]   Show Hide
Inp 2733.00 NIST
Inp 2733.00 NIST
Tboil 650.27 K Relay (1.0) Calculated Property
Tfus 288.95 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 [525.54; 1286.83] 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-2.42690e+01
Coefficient B2.32068e+00
Coefficient C-1.16628e-03
Coefficient D1.56700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 525.54 J/mol×K 273.00 Calculated Property
Cp,gas 657.70 J/mol×K 353.78 Calculated Property
Cp,gas 776.82 J/mol×K 434.56 Calculated Property
Cp,gas 883.37 J/mol×K 515.33 Calculated Property
Cp,gas 977.87 J/mol×K 596.11 Calculated Property
Cp,gas 1060.81 J/mol×K 676.89 Calculated Property
Cp,gas 1132.68 J/mol×K 757.67 Calculated Property
Cp,gas 1193.97 J/mol×K 838.44 Calculated Property
Cp,gas 1245.19 J/mol×K 919.22 Calculated Property
Cp,gas 1286.83 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0013119; 0.0000436] Pa×s [430.07; 773.09] 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-1.43102e+01
Coefficient B3.30034e+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.430.07
Temperature range, max.773.09
η 0.0013119 Pa×s 430.07 Calculated Property
η 0.0007024 Pa×s 468.18 Calculated Property
η 0.0004132 Pa×s 506.30 Calculated Property
η 0.0002618 Pa×s 544.41 Calculated Property
η 0.0001761 Pa×s 582.52 Calculated Property
η 0.0001243 Pa×s 620.64 Calculated Property
η 0.0000914 Pa×s 658.75 Calculated Property
η 0.0000695 Pa×s 696.86 Calculated Property
η 0.0000544 Pa×s 734.98 Calculated Property
η 0.0000436 Pa×s 773.09 Calculated Property

Similar Compounds

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 nonyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl pentadecyl 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, hexyl 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, decyl 2-methylbutyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylbutyl octyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(2-methylpent-3-yl) ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl octadecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl nonyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl tetradecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl hexadecyl ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-ethylbutyl octyl ester.

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

Sources

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