Chemical Properties of Benzyl methyl sulfide (CAS 766-92-7)

Benzyl methyl sulfide

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InChI
InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key
OFQPKKGMNWASPN-UHFFFAOYSA-N
Formula
C8H10S
SMILES
CSCc1ccccc1
Molecular Weight1
138.23
CAS
766-92-7
Other Names
  • 1-Phenyl-2-thiapropane
  • Benzene, [(methylthio)methyl]-
  • Benzyl methyl sulphide
  • Methyl benzyl sulfide
  • Methylthiomethylbenzene
  • NSC 75125
  • Sulfide, benzyl methyl
  • «alpha»-(Methylthio)toluene
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5205.10 ± 2.00 kJ/mol NIST
Δf 162.01 kJ/mol Joback Calculated Property
Δfgas 79.00 ± 3.00 kJ/mol NIST
Δfliquid 26.00 ± 2.00 kJ/mol NIST
Δfus 14.65 kJ/mol Joback Calculated Property
Δvap 55.20 ± 2.10 kJ/mol NIST
Δvap 54.00 ± 2.00 kJ/mol NIST
Δvap 53.00 kJ/mol NIST
IE [8.20; 8.64] eV Show Hide
IE 8.20 eV NIST
IE 8.64 eV NIST
IE 8.41 eV NIST
IE 8.42 eV NIST
logPoct/wat 2.55 Crippen Calculated Property
Pc 3727.11 kPa Joback Calculated Property
Tboil 469.70 K NIST
Tc 712.59 K Joback Calculated Property
Tfus 240.74 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 222.99 J/mol×K 477.9 Joback Calculated Property
ΔvapH 51.80 kJ/mol 352.0 NIST
ΔvapH 50.80 kJ/mol 352.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-S- 1
-CH3 1
-CH2- 1
=CH- (ring) 5

Similar Compounds

Thiocyanic acid benzyl ester. Benzene, [(ethylthio)methyl]-. Benzene, 1,1'-[thiobis(methylene)]bis-. Benzene, 1,4-bis(methylthiomethyl)-. Benzenemethanethiol. isopropyl benzyl sulfide. 2-Chloroethyl benzyl sulfide. Benzene, [(methylsulfinyl)methyl]-. (Z)-1,2-Bis(benzylthio)-ethylene. trans-1,2-Bis(benzylthio)-ethylene. P-xylene-alpha-thiol. 1,4-Benzenedimethanethiol. S-benzylthioacetate. Benzenecarbothioic acid, s-methyl ester. Benzo[c]thiophene, 1,3-dihydro-.

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