Chemical Properties of 3-Chloro-2-methoxy-4-oxo-1-pentene

3-Chloro-2-methoxy-4-oxo-1-pentene

InChI
InChI=1S/C6H9ClO2/c1-4(8)6(7)5(2)9-3/h6H,2H2,1,3H3
InChI Key
QMDIBXBGTZTPPR-UHFFFAOYSA-N
Formula
C6H9ClO2
SMILES
C=C(OC)C(Cl)C(C)=O
Molecular Weight1
148.59
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Physical Properties

Property Value Unit Source
ΔfH°gas -375.88 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 12.17 kJ/mol Joback Calculated Property
ΔvapH° 49.62 kJ/mol Relay (1.0) Calculated Property
IE 8.65 eV Relay (1.0) Calculated Property
log10WS -0.77 Relay (1.0) Calculated Property
logPoct/wat 1.343 Crippen Calculated Property
McVol 110.780 ml/mol McGowan Calculated Property
Tboil 443.47 K Relay (1.0) Calculated Property
Tfus 256.91 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [152.53; 316.42] 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 A3.88200e+01
Coefficient B4.75240e-01
Coefficient C-2.21700e-04
Coefficient D2.40600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 152.53 J/mol×K 273.00 Calculated Property
Cp,gas 180.27 J/mol×K 353.78 Calculated Property
Cp,gas 205.45 J/mol×K 434.56 Calculated Property
Cp,gas 228.14 J/mol×K 515.33 Calculated Property
Cp,gas 248.43 J/mol×K 596.11 Calculated Property
Cp,gas 266.39 J/mol×K 676.89 Calculated Property
Cp,gas 282.09 J/mol×K 757.67 Calculated Property
Cp,gas 295.61 J/mol×K 838.44 Calculated Property
Cp,gas 307.03 J/mol×K 919.22 Calculated Property
Cp,gas 316.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Methoxy-3-methyl-4-oxo-1-pentene. Butanoic acid, 2-chloro-3-oxo-, methyl ester. Butanoic acid, 2-chloro-3-oxo-, ethyl ester. 4,4-Dimethyl-2-methoxy-1-pentene. 1-Pentene, 2-methoxy-. 2-Methoxy-4-methyl-1-pentene. 1-Methoxy-3-methylenecyclohexene. 2-Methoxy-3-methylcyclohexene. 4-Cyclopropanecarbonyl-3,5-bis(trimethylsilanyloxy)cyclohexa-2,5-diene-carboxylic acid, ethyl ester. 3-Ethoxy-2-cyclohexen-1-one. 3-(1-Methoxyethenyl)tricyclo[2.2.1.0(2,6)]heptane. 1-Methoxy-5-methyl-3-methylenecyclohexene. Butanoic acid, 2-chloro, 1-methyl-3-butenyl ester. Glutaric acid, hexa-1,5-dien-3-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Succinylacetone, TBDMS # 4.

Find more compounds similar to 3-Chloro-2-methoxy-4-oxo-1-pentene.

Sources

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