Chemical Properties of Fumaric acid, 2-methylpentyl 3-chlorophenyl ester

Fumaric acid, 2-methylpentyl 3-chlorophenyl ester

InChI
InChI=1S/C16H19ClO4/c1-3-5-12(2)11-20-15(18)8-9-16(19)21-14-7-4-6-13(17)10-14/h4,6-10,12H,3,5,11H2,1-2H3/b9-8+
InChI Key
VDTRQVUSILCRFS-CMDGGOBGSA-N
Formula
C16H19ClO4
SMILES
CCCC(C)COC(=O)C=CC(=O)Oc1cccc(Cl)c1
Molecular Weight1
310.77
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Physical Properties

Property Value Unit Source
ΔfusH° 37.30 kJ/mol Joback Calculated Property
IE 9.02 eV Relay (1.0) Calculated Property
log10WS -5.44 Relay (1.0) Calculated Property
logPoct/wat 3.781 Crippen Calculated Property
McVol 235.360 ml/mol McGowan Calculated Property
Inp [2168.00; 2168.00]   Show Hide
Inp 2168.00 NIST
Inp 2168.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [650.19; 717.80] J/mol×K [790.87; 1005.47] Show Hide
Cp,gas 650.19 J/mol×K 790.87 Joback Calculated Property
Cp,gas 663.86 J/mol×K 826.64 Joback Calculated Property
Cp,gas 676.53 J/mol×K 862.40 Joback Calculated Property
Cp,gas 688.23 J/mol×K 898.17 Joback Calculated Property
Cp,gas 698.99 J/mol×K 933.94 Joback Calculated Property
Cp,gas 708.83 J/mol×K 969.71 Joback Calculated Property
Cp,gas 717.80 J/mol×K 1005.47 Joback Calculated Property
η [0.0000661; 0.0007540] Pa×s [463.18; 790.87] Show Hide
η 0.0007540 Pa×s 463.18 Joback Calculated Property
η 0.0004058 Pa×s 517.79 Joback Calculated Property
η 0.0002458 Pa×s 572.41 Joback Calculated Property
η 0.0001624 Pa×s 627.02 Joback Calculated Property
η 0.0001147 Pa×s 681.64 Joback Calculated Property
η 0.0000853 Pa×s 736.25 Joback Calculated Property
η 0.0000661 Pa×s 790.87 Joback Calculated Property

Similar Compounds

Fumaric acid, 3-chlorophenyl 2-ethylhexyl ester. Fumaric acid, 2-ethylbutyl 3-chlorophenyl ester. Fumaric acid, 2-methylpentyl 2,3-dichlorophenyl ester. Fumaric acid, 2-ethylbutyl 2,3-dichlorophenyl ester. Fumaric acid, 2-ethylhexyl 2,3-dichlorophenyl ester. Fumaric acid, 2-chlorophenyl 2-ethylhexyl ester. Fumaric acid, 2,5-dichlorophenyl 2-ethylhexyl ester. Fumaric acid, 2,4,4-trimethylpentyl 2,3-dichlorophenyl ester. Fumaric acid, 2-methylpentyl 2-fluorophenyl ester. Fumaric acid, 2,4-dichlorophenyl 2-ethylhexyl ester. Fumaric acid, 3,5-dichlorophenyl isohexyl ester. Fumaric acid, 2-(2-methoxyethyl)hexyl 2,3-dichlorophenyl ester. Fumaric acid, naphth-2-yl 2-ethylhexyl ester. Fumaric acid, isohexyl 3,4,5-trichlorophenyl ester. Fumaric acid, 4-methoxyphenyl 2-ethylhexyl ester.

Find more compounds similar to Fumaric acid, 2-methylpentyl 3-chlorophenyl ester.

Sources

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