Chemical Properties of Benzoic acid, 4-(methylthio)-, ethyl ester

InChI

InChI=1S/C10H12O2S/c1-3-12-10(11)8-4-6-9(13-2)7-5-8/h4-7H,3H2,1-2H3

InChI Key

URNLGRVTEGNSHT-UHFFFAOYSA-N

Formula

C10H12O2S

SMILES

CCOC(=O)c1ccc(SC)cc1

Molecular Weight¹

196.27

• 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_np : Non-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°	-64.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-227.60	kJ/mol	Joback Calculated Property
ΔfusH°	22.23	kJ/mol	Joback Calculated Property
ΔvapH°	56.77	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.585		Crippen Calculated Property
McVol	151.790	ml/mol	McGowan Calculated Property
Pc	3089.85	kPa	Joback Calculated Property
Inp	[1651.00; 1651.00]
Inp	1651.00		NIST
Inp	1651.00		NIST
Tboil	604.93	K	Joback Calculated Property
Tc	837.42	K	Joback Calculated Property
Tfus	347.96	K	Joback Calculated Property
Vc	0.566	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[350.05; 417.88]	J/mol×K	[604.93; 837.42]
Cp,gas	350.05	J/mol×K	604.93	Joback Calculated Property
Cp,gas	363.45	J/mol×K	643.68	Joback Calculated Property
Cp,gas	376.01	J/mol×K	682.43	Joback Calculated Property
Cp,gas	387.72	J/mol×K	721.18	Joback Calculated Property
Cp,gas	398.60	J/mol×K	759.92	Joback Calculated Property
Cp,gas	408.65	J/mol×K	798.67	Joback Calculated Property
Cp,gas	417.88	J/mol×K	837.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(methylthio)-, ethyl ester.

Sources

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

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