Chemical Properties of Benzene, [(ethylthio)methyl]- (CAS 6263-62-3)

Benzene, [(ethylthio)methyl]-

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InChI
InChI=1S/C9H12S/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key
NTAIOEZEVLVLLW-UHFFFAOYSA-N
Formula
C9H12S
SMILES
CCSCc1ccccc1
Molecular Weight1
152.26
CAS
6263-62-3
Other Names
  • 1-Phenyl-2-thiabutane
  • Benzyl ethyl sulfide
  • Ethyl benzyl sulfide
  • Sulfide, benzyl ethyl
  • «alpha»-(Ethylthio)toluene
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5853.20 ± 2.10 kJ/mol NIST
Δf 170.43 kJ/mol Joback Calculated Property
Δfgas 52.00 ± 3.00 kJ/mol NIST
Δfliquid -5.20 ± 2.20 kJ/mol NIST
Δfus 17.24 kJ/mol Joback Calculated Property
Δvap 56.90 ± 2.10 kJ/mol NIST
Δvap 57.00 ± 2.00 kJ/mol NIST
Δvap 57.20 kJ/mol NIST
logPoct/wat 2.94 Crippen Calculated Property
Pc 3325.84 kPa Joback Calculated Property
Tboil 500.78 K Joback Calculated Property
Tc 731.34 K Joback Calculated Property
Tfus 252.01 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.38 J/mol×K 500.78 Joback Calculated Property
ΔvapH 56.00 kJ/mol 358.0 NIST
ΔvapH 54.80 kJ/mol 422.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH2- 2
-CH3 1
-S- 1
=CH- (ring) 5

Similar Compounds

isopropyl benzyl sulfide. 2-Chloroethyl benzyl sulfide. Benzyl methyl sulfide. S-benzylthioacetate. Thiocyanic acid benzyl ester. 1-(Benzylthio)acetone. Benzene, 1,4-bis(methylthiomethyl)-. Benzene, 1,1'-[thiobis(methylene)]bis-. 1,4-Benzenedimethanethiol, s,s'-diacetyl-. 1,4-Benzenedimethanethiol, s-acetyl-. Benzenemethanethiol. Z-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene. E-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene. Benzene, [(methylsulfinyl)methyl]-. trans-1,2-Bis(benzylthio)-ethylene.

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