Chemical Properties of Di-n-butyl sulfide (CAS 544-40-1)

Di-n-butyl sulfide

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InChI
InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChI Key
HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Formula
C8H18S
SMILES
CCCCSCCCC
Molecular Weight1
146.29
CAS
544-40-1
Other Names
  • (n-C4H9)2S
  • 1,1'-Thiobisbutane
  • 5-Thianonane
  • Butane, 1,1'-thiobis-
  • Butyl monosulfide
  • Butylthiobutane
  • Di-n-butyl sulfide
  • Dibutyl sulfide
  • Dibutyl sulphide
  • Dibutyl thioether
  • NSC 8460
  • Sulfide, n-butyl-
  • Thianonane-5
  • Thiononane-5
  • n-Butyl sulfide
  • n-Dibutyl sulfide
Sources

Physical Properties

Property Value Unit Source
PAff 871.80 kJ/mol NIST
BasG 842.10 kJ/mol NIST
Δcliquid -6102.03 kJ/mol NIST
Δcliquid -6102.00 ± 1.30 kJ/mol NIST
Δf 49.60 kJ/mol Joback Calculated Property
Δfgas -167.40 kJ/mol NIST
Δfgas -167.20 kJ/mol NIST
Δfliquid -220.70 ± 1.90 kJ/mol NIST
Δfliquid -220.50 ± 1.50 kJ/mol NIST
Δfus 20.61 kJ/mol Joback Calculated Property
Δvap [40.30; 54.20] kJ/mol Show Hide
Δvap 52.96 kJ/mol NIST
Δvap 40.30 kJ/mol NIST
Δvap 53.00 kJ/mol NIST
Δvap 54.20 ± 0.80 kJ/mol NIST
Δvap 53.35 kJ/mol NIST
IE 8.20 eV NIST
IE 8.40 ± 0.05 eV NIST
IE 8.22 eV NIST
logPoct/wat 3.32 Crippen Calculated Property
Pc 2579.34 kPa Joback Calculated Property
liquid 405.09 J/mol×K NIST
Tboil 461.70 K NIST
Tboil 461.95 ± 0.30 K NIST
Tboil 458.20 ± 0.60 K NIST
Tc 636.81 K Joback Calculated Property
Tfus 198.12 ± 0.02 K NIST
Ttriple 198.13 ± 0.04 K NIST
Ttriple 198.13 ± 0.03 K NIST
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 286.95 J/mol×K 451.22 Joback Calculated Property
Cp,liquid 284.34 J/mol×K 298.15 NIST
ΔfusH 19.41 kJ/mol 198.1 NIST
ΔfusH 19.41 kJ/mol 198.1 NIST
ΔfusH 19.43 kJ/mol 198.13 NIST
ΔvapH 44.80 kJ/mol 338.5 NIST
ΔvapH 46.50 kJ/mol 430.0 NIST
ΔfusS 98.05 J/mol×K 198.13 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 6
-CH3 2
-S- 1

Similar Compounds

Butane, 1-(propylthio)-. Butane, 1-(ethylthio)-. Pentane, 1-(propylthio)-. Pentane, 1-(ethylthio)-. 5-Thiadecane. Pentane, 1,1'-thiobis-. 5-Thia-1-heptanethiol. Butane, 1,4-bis(ethylthio)-. 2,7-Dithianonane. Butyl isobutyl sulfide. 2-methyl-5-thianonane. 7-methyl-4-thiaoctane. Butane, 1,1'-thiobis[3-methyl-. 3,9-Dithiadecane. Propane, 1,1'-thiobis-.

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