Chemical Properties of 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 nonyl ester

InChI
InChI=1S/C23H40O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h12-13,18-21H,5-11,14-17H2,1-4H3
InChI Key
KBYJXEYLFUSFEA-UHFFFAOYSA-N
Formula
C23H40O4
SMILES
CCCCCCCCCOC(=O)C1CC=CCC1C(=O)OC(CC)C(C)C
Molecular Weight1
380.56
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Physical Properties

Property Value Unit Source
ΔfusH° 51.15 kJ/mol Joback Calculated Property
log10WS -5.65 Relay (1.0) Calculated Property
logPoct/wat 5.840 Crippen Calculated Property
McVol 334.650 ml/mol McGowan Calculated Property
Inp [2533.00; 2533.00]   Show Hide
Inp 2533.00 NIST
Inp 2533.00 NIST
Tboil 636.27 K Relay (1.0) Calculated Property
Tfus 281.90 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 [483.12; 1183.65] 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-2.24510e+01
Coefficient B2.13068e+00
Coefficient C-1.05748e-03
Coefficient D1.32900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 483.12 J/mol×K 273.00 Calculated Property
Cp,gas 604.87 J/mol×K 353.78 Calculated Property
Cp,gas 714.66 J/mol×K 434.56 Calculated Property
Cp,gas 812.91 J/mol×K 515.33 Calculated Property
Cp,gas 900.05 J/mol×K 596.11 Calculated Property
Cp,gas 976.49 J/mol×K 676.89 Calculated Property
Cp,gas 1042.64 J/mol×K 757.67 Calculated Property
Cp,gas 1098.94 J/mol×K 838.44 Calculated Property
Cp,gas 1145.80 J/mol×K 919.22 Calculated Property
Cp,gas 1183.65 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0017519; 0.0000576] Pa×s [407.53; 737.06] 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-1.39833e+01
Coefficient B3.11202e+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.407.53
Temperature range, max.737.06
η 0.0017519 Pa×s 407.53 Calculated Property
η 0.0009335 Pa×s 444.14 Calculated Property
η 0.0005475 Pa×s 480.76 Calculated Property
η 0.0003463 Pa×s 517.37 Calculated Property
η 0.0002327 Pa×s 553.99 Calculated Property
η 0.0001643 Pa×s 590.60 Calculated Property
η 0.0001208 Pa×s 627.22 Calculated Property
η 0.0000918 Pa×s 663.83 Calculated Property
η 0.0000719 Pa×s 700.45 Calculated Property
η 0.0000576 Pa×s 737.06 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 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, 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 nonyl ester.

Sources

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