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_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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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