Chemical Properties of Fumaric acid, 2,4,6-trichlorophenyl but-3-yn-2-yl ester

Fumaric acid, 2,4,6-trichlorophenyl but-3-yn-2-yl ester

InChI
InChI=1S/C14H9Cl3O4/c1-3-8(2)20-12(18)4-5-13(19)21-14-10(16)6-9(15)7-11(14)17/h1,4-8H,2H3/b5-4+
InChI Key
OYOKCQOUIWZOIO-SNAWJCMRSA-N
Formula
C14H9Cl3O4
SMILES
C#CC(C)OC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl
Molecular Weight1
347.58
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Physical Properties

Property Value Unit Source
ΔfusH° 45.87 kJ/mol Joback Calculated Property
log10WS -5.56 Relay (1.0) Calculated Property
logPoct/wat 3.673 Crippen Calculated Property
McVol 223.060 ml/mol McGowan Calculated Property
Inp [2155.00; 2155.00]   Show Hide
Inp 2155.00 NIST
Inp 2155.00 NIST
Tfus 350.56 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [526.53; 569.75] J/mol×K [784.11; 1020.55] Show Hide
Cp,gas 526.53 J/mol×K 784.11 Joback Calculated Property
Cp,gas 536.07 J/mol×K 823.52 Joback Calculated Property
Cp,gas 544.63 J/mol×K 862.92 Joback Calculated Property
Cp,gas 552.25 J/mol×K 902.33 Joback Calculated Property
Cp,gas 558.96 J/mol×K 941.74 Joback Calculated Property
Cp,gas 564.78 J/mol×K 981.15 Joback Calculated Property
Cp,gas 569.75 J/mol×K 1020.55 Joback Calculated Property

Similar Compounds

Fumaric acid, 2,4,6-trichlorophenyl 1,1,1-trifluoroprop-2-yl ester. Fumaric acid, ethyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl hex-4-yn-3-yl ester. Fumaric acid, propyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl 2,2-dichloroethyl ester. Fumaric acid, ethyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, 2,4-dichlorophenyl hex-4-yn-3-yl ester. Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-yl ester. Fumaric acid, ethyl 2,3,6-trichlorophenyl ester. Fumaric acid, 2-octyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl dec-2-yl ester. Fumaric acid, 2,4,6-trichlorophenyl hept-2-yl ester. Fumaric acid, butyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-en-1-yl ester. Fumaric acid, isobutyl 2,4,6-trichlorophenyl ester.

Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl but-3-yn-2-yl ester.

Sources

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