Chemical Properties of Allyl isobutyl sulfide

Allyl isobutyl sulfide

InChI
InChI=1S/C7H14S/c1-4-5-8-6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChI Key
PKMCIJWWZAHYQG-UHFFFAOYSA-N
Formula
C7H14S
SMILES
C=CCSCC(C)C
Molecular Weight1
130.25
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.2609 Relay (1.0) Calculated Property
ΔfH°gas -50.35 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 13.21 kJ/mol Joback Calculated Property
ΔvapH° 47.88 kJ/mol Relay (1.0) Calculated Property
IE 8.38 eV Relay (1.0) Calculated Property
log10WS -2.95 Relay (1.0) Calculated Property
logPoct/wat 2.562 Crippen Calculated Property
McVol 121.540 ml/mol McGowan Calculated Property
Pc 3009.03 kPa Joback Calculated Property
Inp 1063.00 NIST
Tboil 418.78 K Relay (1.0) Calculated Property
Tc 612.91 K Relay (1.0) Calculated Property
Tfus 154.12 K Relay (1.0) Calculated Property
Vc 0.422 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [230.02; 296.95] J/mol×K [424.78; 620.74] Show Hide
Cp,gas 230.02 J/mol×K 424.78 Joback Calculated Property
Cp,gas 242.52 J/mol×K 457.44 Joback Calculated Property
Cp,gas 254.46 J/mol×K 490.10 Joback Calculated Property
Cp,gas 265.86 J/mol×K 522.76 Joback Calculated Property
Cp,gas 276.73 J/mol×K 555.42 Joback Calculated Property
Cp,gas 287.09 J/mol×K 588.08 Joback Calculated Property
Cp,gas 296.95 J/mol×K 620.74 Joback Calculated Property

Similar Compounds

Allyl propyl sulfide. Propane, 1,1'-thiobis[2-methyl-. 5,6-dimethyl-4-thia-1-heptene. n-C4H9SCH2CH=CH2. Propane, 1-(ethylthio)-2-methyl-. allyl thiopropanal. Propane, 2-methyl-1-(propylthio)-. 2-[Isobutylthio]ethanal. Sulfide, allyl sec-butyl. 4-thia-1-nonene. 5-methyl-4,7-dithia-1,9-decadiene. 3-(allylthio)propanol. Sulfide, isobutyl isopropyl. 5-Methyl-3-thia-1-hexanethiol. Propane, 2-methyl-1-(methylthio)-.

Find more compounds similar to Allyl isobutyl sulfide.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.