Chemical Properties of Z-Thioacetic acid S-(3-chloro-2-methyl-allyl) ester

Z-Thioacetic acid S-(3-chloro-2-methyl-allyl) ester

InChI
InChI=1S/C6H9ClOS/c1-5(3-7)4-9-6(2)8/h3H,4H2,1-2H3/b5-3-
InChI Key
BMVLILHIBODFDS-HYXAFXHYSA-N
Formula
C6H9ClOS
SMILES
CC(=O)SCC(C)=CCl
Molecular Weight1
164.65
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Physical Properties

Property Value Unit Source
ΔfH°gas -210.86 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 20.11 kJ/mol Joback Calculated Property
ΔvapH° 54.61 kJ/mol Relay (1.0) Calculated Property
IE 9.17 eV Relay (1.0) Calculated Property
logPoct/wat 2.409 Crippen Calculated Property
McVol 121.260 ml/mol McGowan Calculated Property
Pc 3484.76 kPa Joback Calculated Property
Inp 1130.80 NIST
I 1567.40 NIST
Tboil 473.33 K Relay (1.0) Calculated Property
Tc 669.43 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [153.75; 321.90] 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 A2.34110e+01
Coefficient B5.66930e-01
Coefficient C-3.50200e-04
Coefficient D8.17600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 153.75 J/mol×K 273.00 Calculated Property
Cp,gas 183.77 J/mol×K 353.78 Calculated Property
Cp,gas 210.35 J/mol×K 434.56 Calculated Property
Cp,gas 233.76 J/mol×K 515.33 Calculated Property
Cp,gas 254.24 J/mol×K 596.11 Calculated Property
Cp,gas 272.06 J/mol×K 676.89 Calculated Property
Cp,gas 287.48 J/mol×K 757.67 Calculated Property
Cp,gas 300.75 J/mol×K 838.44 Calculated Property
Cp,gas 312.14 J/mol×K 919.22 Calculated Property
Cp,gas 321.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

E-Thioacetic acid S-(3-chloro-2-methyl-allyl) ester. E-1-Chloro-2-methyl-3-propylsulfanyl- propene. Z-1-Chloro-2-methyl-3-propylsulfanyl- propene. E-1-(3-Chloro-2-methyl-allylsulfanyl) -butane. Z-1-(3-Chloro-2-methyl-allylthio) -butane. 3-Ethylthio-2-methyl-1-propene. Z-1-(3-Chloro-2-methyl-allylthio) -pentane. E-1-(3-Chloro-2-methyl-allylsulfanyl) -pentane. Ethanethioic acid, S-propyl ester. 2,5-Dihydro-3,4-dimethylthiophen-2-one. ALLYL THIOPROPIONATE. Propanethioic acid, S-propyl ester. Z-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene. E-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene. allyl thioacetate.

Find more compounds similar to Z-Thioacetic acid S-(3-chloro-2-methyl-allyl) ester.

Sources

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