Chemical Properties of allyl thioacetate

allyl thioacetate

InChI
InChI=1S/C5H8OS/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
InChI Key
MIRAUQNBKACECA-UHFFFAOYSA-N
Formula
C5H8OS
SMILES
C=CCSC(C)=O
Molecular Weight1
116.18
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Physical Properties

Property Value Unit Source
ΔfH°gas -135.47 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.15 kJ/mol Joback Calculated Property
ΔvapH° 44.13 kJ/mol Relay (1.0) Calculated Property
IE 9.33 eV Relay (1.0) Calculated Property
logPoct/wat 1.452 Crippen Calculated Property
McVol 94.930 ml/mol McGowan Calculated Property
Pc 4026.13 kPa Joback Calculated Property
Tboil 408.09 K Relay (1.0) Calculated Property
Tc 613.37 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [169.09; 215.36] J/mol×K [433.33; 641.13] Show Hide
Cp,gas 169.09 J/mol×K 433.33 Joback Calculated Property
Cp,gas 177.80 J/mol×K 467.96 Joback Calculated Property
Cp,gas 186.11 J/mol×K 502.60 Joback Calculated Property
Cp,gas 194.01 J/mol×K 537.23 Joback Calculated Property
Cp,gas 201.51 J/mol×K 571.87 Joback Calculated Property
Cp,gas 208.63 J/mol×K 606.50 Joback Calculated Property
Cp,gas 215.36 J/mol×K 641.13 Joback Calculated Property

Similar Compounds

ALLYL THIOPROPIONATE. Allyl(ethyl)sulfide. 3-((1,1-Dimethylethyl)-thio)-1-propene. Diallyl sulfide. (allylthio)acetaldehyde. 1-Propene, 3-[(1-methylethyl)thio]-. 4,7-dithia-1,9-decadiene. 4,7-dithia-1-octene. S-Ethyl ethanethioate. Allyl propyl sulfide. 3-Thia-5-hexene-1-thiol. 2(5H)-Thiophenone. 5-methyl-4,6-dithia-1,8-nonadiene. 3-methyl-2,4-dithia-6-heptene. Thiocyanic acid, 2-propenyl ester.

Find more compounds similar to allyl thioacetate.

Sources

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