Chemical Properties of Fumaric acid, 3-methylbutyl 2-chloro-6-fluorophenyl ester

Fumaric acid, 3-methylbutyl 2-chloro-6-fluorophenyl ester

InChI
InChI=1S/C15H16ClFO4/c1-10(2)8-9-20-13(18)6-7-14(19)21-15-11(16)4-3-5-12(15)17/h3-7,10H,8-9H2,1-2H3/b7-6+
InChI Key
MACCSVVEKHROJB-VOTSOKGWSA-N
Formula
C15H16ClFO4
SMILES
CC(C)CCOC(=O)/C=C/C(=O)Oc1c(F)cccc1Cl
Molecular Weight1
314.74
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Physical Properties

Property Value Unit Source
ΔfH°gas -835.54 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.56 kJ/mol Joback Calculated Property
ΔvapH° 95.09 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.530 Crippen Calculated Property
McVol 223.040 ml/mol McGowan Calculated Property
Inp [2029.00; 2029.00]   Show Hide
Inp 2029.00 NIST
Inp 2029.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [594.09; 658.09] J/mol×K [736.30; 942.66] Show Hide
Cp,gas 594.09 J/mol×K 736.30 Joback Calculated Property
Cp,gas 607.14 J/mol×K 770.69 Joback Calculated Property
Cp,gas 619.20 J/mol×K 805.09 Joback Calculated Property
Cp,gas 630.31 J/mol×K 839.48 Joback Calculated Property
Cp,gas 640.48 J/mol×K 873.88 Joback Calculated Property
Cp,gas 649.73 J/mol×K 908.27 Joback Calculated Property
Cp,gas 658.09 J/mol×K 942.66 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-ethylbutyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-methylpentyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-ethylhexyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,4,4-trimethylpentyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 3-methylbutyl 2-fluorophenyl ester. Fumaric acid, 2-pentyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 3-methylbutyl 2,4,6-trichlorophenyl ester. Fumaric acid, 3-methylbutyl 2,3-dichlorophenyl ester. Fumaric acid, 2-octyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 4-octyl 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester. Fumaric acid, isohexyl 2,3,6-trichlorophenyl ester. Fumaric acid, 2-methylpentyl 2-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-methylpentyl ester.

Find more compounds similar to Fumaric acid, 3-methylbutyl 2-chloro-6-fluorophenyl ester.

Sources

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