Chemical Properties of 2,4-Bis(butylthio)but-2-enal

2,4-Bis(butylthio)but-2-enal

InChI
InChI=1S/C12H22OS2/c1-3-5-8-14-10-7-12(11-13)15-9-6-4-2/h7,11H,3-6,8-10H2,1-2H3/b12-7-
InChI Key
KHFNBOJFSNECKE-GHXNOFRVSA-N
Formula
C12H22OS2
SMILES
CCCCSCC=C(C=O)SCCCC
Molecular Weight1
246.43
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
ΔfusH° 36.28 kJ/mol Joback Calculated Property
ΔvapH° 80.36 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.136 Crippen Calculated Property
McVol 209.910 ml/mol McGowan Calculated Property
I [2587.00; 2587.00]   Show Hide
I 2587.00 NIST
I 2587.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [536.55; 616.23] J/mol×K [664.22; 872.54] Show Hide
Cp,gas 536.55 J/mol×K 664.22 Joback Calculated Property
Cp,gas 551.95 J/mol×K 698.94 Joback Calculated Property
Cp,gas 566.46 J/mol×K 733.66 Joback Calculated Property
Cp,gas 580.11 J/mol×K 768.38 Joback Calculated Property
Cp,gas 592.94 J/mol×K 803.10 Joback Calculated Property
Cp,gas 604.97 J/mol×K 837.82 Joback Calculated Property
Cp,gas 616.23 J/mol×K 872.54 Joback Calculated Property

Similar Compounds

2,4-Bis(pentylthio)bute-2-nal. 2,4-Bis(isopentylthio)but-2-enal. 2,4-Bis(hexylthio)but-2-enal. 2,4-Bis(propylthio)but-2-enal. 2,4-Bis(isobutylthio)but-2-enal. 2,4-Bis(ethylthio)but-2-enal. 2,4-Bis(isopropylthio)but-2-enal. 2,4-Bis(allylthio)but-2-enal. 2,4-Bis(prenylthio)but-2-enal. Butyl furfuryl sulfide. 1-(4-Methyl-4H-[1,3]dithiin-2-yl)-propane-2-thiol. Furfuryl pentyl sulfide. famotidine. Pimozide. Isobutyl furfuryl sulfide.

Find more compounds similar to 2,4-Bis(butylthio)but-2-enal.

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.