Chemical Properties of Butane, 1-(ethylthio)- (CAS 638-46-0)

Butane, 1-(ethylthio)-

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InChI
InChI=1S/C6H14S/c1-3-5-6-7-4-2/h3-6H2,1-2H3
InChI Key
XJIRSLHMKBUGMR-UHFFFAOYSA-N
Formula
C6H14S
SMILES
CCCCSCC
Molecular Weight1
118.24
CAS
638-46-0
Other Names
  • 1-(Ethylthio)butane
  • 3-Thiaheptane
  • Butyl ethyl sulfide
  • Ethyl butyl sulfide
  • Ethyl butyl sulphide
  • Ethyl n-butyl sulfide
  • Sulfide, butyl ethyl
  • n-Butylethylsulfide
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4791.80 ± 1.90 kJ/mol NIST
Δf 32.76 kJ/mol Joback Calculated Property
Δfgas -127.00 ± 3.00 kJ/mol NIST
Δfliquid -172.00 ± 2.00 kJ/mol NIST
Δfus 15.43 kJ/mol Joback Calculated Property
Δvap [44.50; 45.00] kJ/mol Show Hide
Δvap 44.50 kJ/mol NIST
Δvap 44.90 kJ/mol NIST
Δvap 44.60 ± 0.80 kJ/mol NIST
Δvap 45.00 ± 1.00 kJ/mol NIST
Δvap 45.00 kJ/mol NIST
logPoct/wat 2.54 Crippen Calculated Property
Pc 3166.83 kPa Joback Calculated Property
Tboil 417.40 K NIST
Tboil 417.00 K NIST
Tboil 417.60 ± 0.40 K NIST
Tc 594.29 K Joback Calculated Property
Tfus 178.02 ± 0.10 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 206.46 J/mol×K 405.46 Joback Calculated Property
ΔfusH 12.39 kJ/mol 178.1 NIST
ΔfusH 12.39 kJ/mol 178.1 NIST
ΔvapH 43.50 kJ/mol 332.0 NIST
ΔvapH 43.70 kJ/mol 379.5 NIST
ΔvapH 40.70 kJ/mol 389.0 NIST

Molecular Descriptors

Joback and Reid Groups
-S- 1
-CH3 2
-CH2- 4

Similar Compounds

Butane, 1-(propylthio)-. Di-n-butyl sulfide. 5-Thia-1-heptanethiol. Butane, 1,4-bis(ethylthio)-. 2,7-Dithianonane. Butane, 1-(methylthio)-. Propane, 1,1'-thiobis-. Pentane, 1,1'-thiobis-. Pentane, 1-(propylthio)-. 5-Thiadecane. Pentane, 1-(ethylthio)-. 2H-Thiopyran, tetrahydro-. Butane, 1-[(1-methylethyl)thio]-. Ethyl isopentyl sulfide. Thiophene, tetrahydro-.

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