Chemical Properties of Dimethyl 2-chloro-3-dichloromethylbutenedioate

Dimethyl 2-chloro-3-dichloromethylbutenedioate

InChI
InChI=1S/C7H7Cl3O4/c1-13-6(11)3(5(9)10)4(8)7(12)14-2/h5H,1-2H3/b4-3-
InChI Key
JLBYWOCUVWNLJC-ARJAWSKDSA-N
Formula
C7H7Cl3O4
SMILES
COC(=O)/C(Cl)=C(/C(=O)OC)C(Cl)Cl
Molecular Weight1
261.49
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Physical Properties

Property Value Unit Source
ω 0.5177 Relay (1.0) Calculated Property
ΔfH°gas -695.44 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.27 kJ/mol Joback Calculated Property
ΔvapH° 72.05 kJ/mol Relay (1.0) Calculated Property
IE 10.27 eV Relay (1.0) Calculated Property
logPoct/wat 1.629 Crippen Calculated Property
McVol 156.790 ml/mol McGowan Calculated Property
Pc 2709.85 kPa Joback Calculated Property
Inp 1425.00 NIST
Tboil 543.68 K Relay (1.0) Calculated Property
Tc 742.34 K Relay (1.0) Calculated Property
Tfus 330.97 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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 [324.11; 368.92] J/mol×K [591.97; 805.89] Show Hide
Cp,gas 324.11 J/mol×K 591.97 Joback Calculated Property
Cp,gas 333.16 J/mol×K 627.62 Joback Calculated Property
Cp,gas 341.56 J/mol×K 663.28 Joback Calculated Property
Cp,gas 349.33 J/mol×K 698.93 Joback Calculated Property
Cp,gas 356.48 J/mol×K 734.59 Joback Calculated Property
Cp,gas 363.00 J/mol×K 770.24 Joback Calculated Property
Cp,gas 368.92 J/mol×K 805.89 Joback Calculated Property

Similar Compounds

1,2,3,5-Tetracarbomethoxy-5-chloro-4-methylcyclopentadiene. Thiopyran-3-carboxylic acid, 5-benzamido-4-oxo-, ethyl ester. (E)-4-(2-(2-(2,6-Dimethylhepta-1,5-dien-1-yl)-6-pentyl-1,3-dioxan-4-yl)ethyl)-2-methoxyphenol. 1,1'-Ferrocenedicarboxylic acid, diglycidyl ester. MONOACETOXYSCIRPENOL. Diacetoxyscirpenol. epi-Me-dihydrophaseic acid-Ac. 1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methoxy-2-oxoethyl (E)-2-methylbut-2-enoate. Fumaric acid, monoamide, N-benzyl-N-phenethyl-, isopropyl ester. Isradipine. Hser, N-isoBOC TBDMS. 1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, dodecyl ester. Dibutyl chlorendate. 3,4-Dihydro-3,3-dimethyl-2-p-tolyl-2H-1,4,2-benzoxazaphosphorine-2-oxide. (2E,4E,12E)-13-(Benzo[d][1,3]dioxol-5-yl)-N-isobutyltrideca-2,4,12-trienamide.

Find more compounds similar to Dimethyl 2-chloro-3-dichloromethylbutenedioate.

Sources

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