Chemical Properties of Benzene, (ethylthio)- (CAS 622-38-8)

Benzene, (ethylthio)-

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InChI
InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChI Key
AEHWKBXBXYNPCX-UHFFFAOYSA-N
Formula
C8H10S
SMILES
CCSc1ccccc1
Molecular Weight1
138.23
CAS
622-38-8
Other Names
  • (1-Thiapropyl)benzene
  • (Ethylthio)benzene
  • (Phenylthio)ethane
  • Ethyl phenyl sulfide
  • Ethyl phenyl sulphide
  • NSC 75124
  • Phenyl ethyl sulfide
  • Sulfide, ethyl phenyl
  • Thiophenetole
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5201.00 ± 1.50 kJ/mol NIST
Δf 162.01 kJ/mol Joback Calculated Property
Δfgas 77.00 ± 3.00 kJ/mol NIST
Δfliquid 21.90 ± 1.50 kJ/mol NIST
Δfus 14.65 kJ/mol Joback Calculated Property
Δvap 56.40 kJ/mol NIST
Δvap 55.00 ± 2.00 kJ/mol NIST
Δvap 55.10 kJ/mol NIST
IE [7.88; 8.80] eV Show Hide
IE 7.88 ± 0.02 eV NIST
IE 8.80 eV NIST
IE 8.00 eV NIST
IE 8.53 eV NIST
logPoct/wat 2.80 Crippen Calculated Property
Pc 3727.11 kPa Joback Calculated Property
Tboil 478.20 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 53.60 ± 2.10 kJ/mol 340.5 NIST
ΔvapH 50.90 kJ/mol 352.5 NIST
ΔvapH 51.70 kJ/mol 407.5 NIST

Molecular Descriptors

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

Similar Compounds

Sulfide, isopropyl phenyl. 2-(Phenylthio)ethanol. Benzene, (propylthio)-. Allylphenyl sulfide. Phenyl propargyl sulfide. Benzene, (methylthio)-. 1,2-Bis(phenylthio)ethane. Benzene, [(2-methylpropyl)thio]-. Butylthiobenzene. Benzene, [(1,1-dimethylethyl)thio]-. Benzene, (2-butenylthio)-, (Z)-. trans-1-(Phenylthio)-2-butene. Ethanethioic acid, s-phenyl ester. 4-(Methylthio)thiophenol. Cyclopropyl phenyl sulphide.

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