Chemical Properties of Fumaric acid, 2-ethylhexyl tridec-2-yn-1-yl ester

Fumaric acid, 2-ethylhexyl tridec-2-yn-1-yl ester

InChI
InChI=1S/C25H42O4/c1-4-7-9-10-11-12-13-14-15-16-17-21-28-24(26)19-20-25(27)29-22-23(6-3)18-8-5-2/h19-20,23H,4-15,18,21-22H2,1-3H3/b20-19+
InChI Key
QCVWKBBGDYOSEI-FMQUCBEESA-N
Formula
C25H42O4
SMILES
CCCCCCCCCCC#CCOC(=O)/C=C/C(=O)OCC(CC)CCCC
Molecular Weight1
406.61
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Physical Properties

Property Value Unit Source
ΔfusH° 69.04 kJ/mol Joback Calculated Property
log10WS -7.75 Relay (1.0) Calculated Property
logPoct/wat 6.380 Crippen Calculated Property
McVol 365.090 ml/mol McGowan Calculated Property
Pc 871.19 kPa Joback Calculated Property
Inp [2823.00; 2823.00]   Show Hide
Inp 2823.00 NIST
Inp 2823.00 NIST
Tboil 643.77 K Relay (1.0) Calculated Property
Tfus 272.53 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [537.28; 1234.15] 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 A3.26750e+01
Coefficient B2.14536e+00
Coefficient C-1.14186e-03
Coefficient D1.97980e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 537.28 J/mol×K 273.00 Calculated Property
Cp,gas 657.51 J/mol×K 353.78 Calculated Property
Cp,gas 765.57 J/mol×K 434.56 Calculated Property
Cp,gas 862.10 J/mol×K 515.33 Calculated Property
Cp,gas 947.73 J/mol×K 596.11 Calculated Property
Cp,gas 1023.07 J/mol×K 676.89 Calculated Property
Cp,gas 1088.76 J/mol×K 757.67 Calculated Property
Cp,gas 1145.42 J/mol×K 838.44 Calculated Property
Cp,gas 1193.67 J/mol×K 919.22 Calculated Property
Cp,gas 1234.16 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 2-methylpentyl tridec-2-yn-1-yl ester. Fumaric acid, 2-ethylbutyl tridec-2-yn-1-yl ester. Fumaric acid, 2,4,4-trimethylpentyl tridec-2-yn-1-yl ester. Fumaric acid, 2-ethylhexyl hex-4-yn-3-yl ester. 2-Butenedioic acid (E)-, bis(2-ethylhexyl) ester. Bis(2-ethylhexyl) maleate. Fumaric acid, 2-ethylbutyl 2-ethylhexyl ester. Fumaric acid, 2-methylpentyl 2-ethylhexyl ester. Fumaric acid, 3-methylbutyl tridec-2-yn-1-yl ester. Glutaric acid, tridec-2-yn-1-yl 2-ethylhexyl ester. Fumaric acid, di(2-(2-methoxyethyl)hexyl) ester. Fumaric acid, 4-octyl cyclohexylmethyl ester. Fumaric acid, 2-ethylbutyl pentadecyl ester. Fumaric acid, dodecyl 2-ethylbutyl ester. Fumaric acid, decyl 2-ethylbutyl ester.

Find more compounds similar to Fumaric acid, 2-ethylhexyl tridec-2-yn-1-yl ester.

Sources

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