Chemical Properties of E-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene

E-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene

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InChI
InChI=1S/C11H13ClS/c1-10(7-12)8-13-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3/b10-7+
InChI Key
MTEZNPWGPCHQBQ-JXMROGBWSA-N
Formula
C11H13ClS
SMILES
CC(=CCl)CSCc1ccccc1
Molecular Weight1
212.74
Other Names
  • E-(3-Chloro-2-methyl-allylthio)-methyl benzene
Sources

Physical Properties

Property Value Unit Source
Δf 247.01 kJ/mol Joback Calculated Property
Δfgas 99.72 kJ/mol Joback Calculated Property
Δfus 25.51 kJ/mol Joback Calculated Property
Δvap 53.60 kJ/mol Joback Calculated Property
logPoct/wat 4.06 Crippen Calculated Property
Pc 2752.67 kPa Joback Calculated Property
Tboil 588.01 K Joback Calculated Property
Tc 829.32 K Joback Calculated Property
Tfus 285.43 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 363.68 J/mol×K 588.01 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Z-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene. 1-(Benzylthio)acetone. isopropyl benzyl sulfide. Benzene, [(ethylthio)methyl]-. 2-Chloroethyl benzyl sulfide. S-benzylthioacetate. Benzyl methyl sulfide. S-Butyl benzenecarbothioate. 1,4-Benzenedimethanethiol, s,s'-diacetyl-. 1,4-Benzenedimethanethiol, s-acetyl-. Thiocyanic acid benzyl ester. Benzene, 1,1'-[thiobis(methylene)]bis-. 1,3-Benzenedimethanethiol, s,s'-diacetyl-. 1,3-Benzenedimethanethiol, s-acetyl-. Propionitrile, 2-amino-3-(benzylthio)-2-[(benzylthio)methyl]-, hydrochloride.

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