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

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

InChI
InChI=1S/C26H46O4/c1-5-7-8-9-10-11-12-13-14-17-20-29-25(27)22-18-15-16-19-23(22)26(28)30-24(6-2)21(3)4/h15-16,21-24H,5-14,17-20H2,1-4H3
InChI Key
GYYQYKSPVQHJTI-UHFFFAOYSA-N
Formula
C26H46O4
SMILES
CCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C
Molecular Weight1
422.64
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Physical Properties

Property Value Unit Source
ΔfusH° 58.92 kJ/mol Joback Calculated Property
log10WS -6.56 Relay (1.0) Calculated Property
logPoct/wat 7.011 Crippen Calculated Property
McVol 376.920 ml/mol McGowan Calculated Property
Inp [2832.00; 2832.00]   Show Hide
Inp 2832.00 NIST
Inp 2832.00 NIST
Tboil 657.04 K Relay (1.0) Calculated Property
Tfus 292.97 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 [546.76; 1338.42] 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-2.51780e+01
Coefficient B2.41568e+00
Coefficient C-1.22068e-03
Coefficient D1.68600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 546.76 J/mol×K 273.00 Calculated Property
Cp,gas 684.12 J/mol×K 353.78 Calculated Property
Cp,gas 807.89 J/mol×K 434.56 Calculated Property
Cp,gas 918.60 J/mol×K 515.33 Calculated Property
Cp,gas 1016.78 J/mol×K 596.11 Calculated Property
Cp,gas 1102.97 J/mol×K 676.89 Calculated Property
Cp,gas 1177.69 J/mol×K 757.67 Calculated Property
Cp,gas 1241.49 J/mol×K 838.44 Calculated Property
Cp,gas 1294.89 J/mol×K 919.22 Calculated Property
Cp,gas 1338.42 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0011316; 0.0000376] Pa×s [441.34; 792.02] 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-1.44755e+01
Coefficient B3.39450e+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.441.34
Temperature range, max.792.02
η 0.0011316 Pa×s 441.34 Calculated Property
η 0.0006063 Pa×s 480.30 Calculated Property
η 0.0003568 Pa×s 519.27 Calculated Property
η 0.0002261 Pa×s 558.23 Calculated Property
η 0.0001520 Pa×s 597.20 Calculated Property
η 0.0001073 Pa×s 636.16 Calculated Property
η 0.0000789 Pa×s 675.13 Calculated Property
η 0.0000600 Pa×s 714.09 Calculated Property
η 0.0000469 Pa×s 753.06 Calculated Property
η 0.0000376 Pa×s 792.02 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, 2-methylpent-3-yl undecyl 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, dodecyl 2-methylpent-3-yl ester.

Sources

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