Chemical Properties of 2-Buten-1-thiol

2-Buten-1-thiol

InChI
InChI=1S/C4H8S/c1-2-3-4-5/h2-3,5H,4H2,1H3/b3-2+
InChI Key
PSKWBKFCLVNPMT-NSCUHMNNSA-N
Formula
C4H8S
SMILES
CC=CCS
Molecular Weight1
88.17
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 0.2867 Relay (1.0) Calculated Property
ΔfG° 92.41 kJ/mol Joback Calculated Property
ΔfH°gas 8.96 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 10.36 kJ/mol Joback Calculated Property
ΔvapH° 41.29 kJ/mol Relay (1.0) Calculated Property
IE 8.73 eV Relay (1.0) Calculated Property
logPoct/wat 1.492 Crippen Calculated Property
McVol 79.270 ml/mol McGowan Calculated Property
Pc 4528.58 kPa Joback Calculated Property
Inp 704.00 NIST
Tboil 378.79 K Relay (1.0) Calculated Property
Tc 565.75 K Relay (1.0) Calculated Property
Tfus 161.79 K Relay (1.0) Calculated Property
Vc 0.280 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l 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 [119.99; 162.95] J/mol×K [358.14; 559.68] Show Hide
Cp,gas 119.99 J/mol×K 358.14 Joback Calculated Property
Cp,gas 128.18 J/mol×K 391.73 Joback Calculated Property
Cp,gas 135.93 J/mol×K 425.32 Joback Calculated Property
Cp,gas 143.27 J/mol×K 458.91 Joback Calculated Property
Cp,gas 150.20 J/mol×K 492.50 Joback Calculated Property
Cp,gas 156.75 J/mol×K 526.09 Joback Calculated Property
Cp,gas 162.95 J/mol×K 559.68 Joback Calculated Property

Similar Compounds

3-Methyl-2-buten-1-thiol. 3-Methyl-2-butene-1-thiol. trans-1-(Methylthio)-2-butene. Sulfide, 2-butenyl methyl, cis, (Z)-. 2-METHYL-3-BUTENE-2-THIOL. Thiophene, 2,5-dihydro-. Allyl mercaptan. trans-1-(Ethylthio)-2-butene. 2-Butene, 2-(ethylthio)-, (Z)-. 1-(Ethylthiomethyl)propene. trans-1-(t-Butylthio)-2-butene. 2-Butene, 1-[(1,1-dimethylethyl)thio]-, (Z)-. 1,2,3-trithia-5-cycloheptene. 2-[But-2-enylthio]ethanal. (E)-2-Butene-d8.

Find more compounds similar to 2-Buten-1-thiol.

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.