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
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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
Ip [2587.00; 2587.00]   Show Hide
Ip 2587.00 NIST
Ip 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [292.11; 651.53] 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 A2.87070e+01
Coefficient B1.12702e+00
Coefficient C-6.27700e-04
Coefficient D1.23500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 292.11 J/mol×K 273.00 Calculated Property
Cp,gas 354.33 J/mol×K 353.78 Calculated Property
Cp,gas 410.06 J/mol×K 434.56 Calculated Property
Cp,gas 459.70 J/mol×K 515.33 Calculated Property
Cp,gas 503.64 J/mol×K 596.11 Calculated Property
Cp,gas 542.28 J/mol×K 676.89 Calculated Property
Cp,gas 575.99 J/mol×K 757.67 Calculated Property
Cp,gas 605.18 J/mol×K 838.44 Calculated Property
Cp,gas 630.23 J/mol×K 919.22 Calculated Property
Cp,gas 651.53 J/mol×K 1000.00 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. Pimozide. Isobutyl furfuryl sulfide. 7-tiglyl echinatine, diTMS, dihydro.

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

Sources

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