Chemical Properties of S-benzylthioacetate

InChI

InChI=1S/C9H10OS/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI Key

XQLIUJWBXPIGCB-UHFFFAOYSA-N

Formula

C9H10OS

SMILES

CC(=O)SCc1ccccc1

Molecular Weight¹

166.24

• 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).
• 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 : 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

Property	Value	Unit	Source
ΔfG°	41.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-63.27	kJ/mol	Joback Calculated Property
ΔfusH°	18.84	kJ/mol	Joback Calculated Property
ΔvapH°	51.47	kJ/mol	Joback Calculated Property
log10WS	-2.85		Crippen Calculated Property
logPoct/wat	2.466		Crippen Calculated Property
McVol	131.830	ml/mol	McGowan Calculated Property
Pc	3581.35	kPa	Joback Calculated Property
I	[1986.00; 1986.00]
I	1986.00		NIST
I	1986.00		NIST
Tboil	554.65	K	Joback Calculated Property
Tc	794.33	K	Joback Calculated Property
Tfus	301.94	K	Joback Calculated Property
Vc	0.491	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.39; 346.63]	J/mol×K	[554.65; 794.33]
Cp,gas	281.39	J/mol×K	554.65	Joback Calculated Property
Cp,gas	294.44	J/mol×K	594.60	Joback Calculated Property
Cp,gas	306.58	J/mol×K	634.54	Joback Calculated Property
Cp,gas	317.84	J/mol×K	674.49	Joback Calculated Property
Cp,gas	328.25	J/mol×K	714.43	Joback Calculated Property
Cp,gas	337.83	J/mol×K	754.38	Joback Calculated Property
Cp,gas	346.63	J/mol×K	794.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to S-benzylthioacetate.

Sources

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

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