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

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.68; 437.49]	J/mol×K	[588.01; 829.32]
Cp,gas	363.68	J/mol×K	588.01	Joback Calculated Property
Cp,gas	378.51	J/mol×K	628.23	Joback Calculated Property
Cp,gas	392.24	J/mol×K	668.45	Joback Calculated Property
Cp,gas	404.93	J/mol×K	708.67	Joback Calculated Property
Cp,gas	416.66	J/mol×K	748.88	Joback Calculated Property
Cp,gas	427.49	J/mol×K	789.10	Joback Calculated Property
Cp,gas	437.49	J/mol×K	829.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to E-(3-Chloro-2-methyl-allylsulfanyl)methyl-benzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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