Chemical Properties of Diisobutyl sulfide (CAS 592-65-4)

Diisobutyl sulfide

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InChI
InChI=1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
InChI Key
CMWSRWTXVQLHNX-UHFFFAOYSA-N
Formula
C8H18S
SMILES
CC(C)CSCC(C)C
Molecular Weight1
146.29
CAS
592-65-4
Other Names
  • (iso-C4H9)2S
  • 1,1'-Thiobis(2-methyl-propane)
  • 2,6-Dimethyl-4-thiaheptane
  • Di(2-methylpropyl) sulfide
  • Diisobutyl sulfide
  • Diisobutyl sulphide
  • Isobutyl sulfide
  • Sulfide, diisobutyl-
Sources

Physical Properties

Property Value Unit Source
Δcliquid -6093.20 ± 1.50 kJ/mol NIST
Δf 44.72 kJ/mol Joback Calculated Property
Δfgas -179.00 ± 2.00 kJ/mol NIST
Δfliquid -229.00 ± 2.00 kJ/mol NIST
Δfus 13.56 kJ/mol Joback Calculated Property
Δvap [48.50; 50.00] kJ/mol Show Hide
Δvap 48.71 kJ/mol NIST
Δvap 48.70 kJ/mol NIST
Δvap 48.50 ± 0.80 kJ/mol NIST
Δvap 50.00 ± 2.00 kJ/mol NIST
Δvap 50.00 kJ/mol NIST
IE 8.32 eV NIST
IE 8.36 ± 0.05 eV NIST
logPoct/wat 3.03 Crippen Calculated Property
Pc 2621.78 kPa Joback Calculated Property
Tboil 445.50 ± 0.50 K NIST
Tboil 445.20 ± 0.60 K NIST
Tboil 447.00 ± 2.00 K NIST
Tc 644.50 K Joback Calculated Property
Tfus 167.65 ± 0.50 K NIST
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 287.13 J/mol×K 450.34 Joback Calculated Property
ΔvapH 46.40 kJ/mol 335.5 NIST
ΔvapH 43.10 kJ/mol 336.0 NIST

Molecular Descriptors

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

Similar Compounds

Propyl 2-methylpropylsulfide. Propane, 1-(ethylthio)-2-methyl-. Butyl isobutyl sulfide. Sulfide, isobutyl isopropyl. 2,7-dimethyl-4-thiaoctane. Isobutyl pentyl sulfide. Propane, 2-methyl-1-(methylthio)-. Propane, 1,1'-thiobis-. 5-Methyl-3-thia-1-hexanethiol. sec-Butyl isobutyl sulfide. Sulfide, ethyl propyl. Allyl isobutyl sulfide. 2-[Isobutylthio]ethanal. 2,5,5-trimethyl-4-thiahexane. Ethyl isopentyl sulfide.

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