Chemical Properties of 2-Chloroethyl benzyl sulfide (CAS 4332-51-8)

InChI

InChI=1S/C9H11ClS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2

InChI Key

UQSMMTFBNJUPGW-UHFFFAOYSA-N

Formula

C9H11ClS

SMILES

ClCCSCc1ccccc1

Molecular Weight¹

186.70

CAS

4332-51-8

Other Names

• Benzyl 2-chloroethyl sulfide
• Benzene, [[(2-chloroethyl)thio]methyl]-
• Sulfide, benzyl 2-chloroethyl
• Benzyl «beta»-chloroethyl sulfide
• 2-Benzylthioethyl chloride
• [[(2-chloroethyl)thio]methyl]benzene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• 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	[291.48; 359.58]	J/mol×K	[538.21; 773.70]
Cp,gas	291.48	J/mol×K	538.21	Joback Calculated Property
Cp,gas	305.01	J/mol×K	577.46	Joback Calculated Property
Cp,gas	317.62	J/mol×K	616.71	Joback Calculated Property
Cp,gas	329.34	J/mol×K	655.95	Joback Calculated Property
Cp,gas	340.22	J/mol×K	695.20	Joback Calculated Property
Cp,gas	350.28	J/mol×K	734.45	Joback Calculated Property
Cp,gas	359.58	J/mol×K	773.70	Joback Calculated Property
ΔvapH	52.30	kJ/mol	313.00	NIST

Similar Compounds

Find more compounds similar to 2-Chloroethyl benzyl sulfide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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