Chemical Properties of Benzoic acid, 2-(butylthio)-

InChI

InChI=1S/C11H14O2S/c1-2-3-8-13-11(12)9-6-4-5-7-10(9)14/h4-7,14H,2-3,8H2,1H3

InChI Key

UOTKBRDRSXAZOM-UHFFFAOYSA-N

Formula

C11H14O2S

SMILES

CCCCOC(=O)c1ccccc1S

Molecular Weight¹

210.29

• 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°	-60.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-251.63	kJ/mol	Joback Calculated Property
ΔfusH°	24.73	kJ/mol	Joback Calculated Property
ΔvapH°	58.91	kJ/mol	Joback Calculated Property
log10WS	-3.48		Crippen Calculated Property
logPoct/wat	2.932		Crippen Calculated Property
McVol	165.880	ml/mol	McGowan Calculated Property
Pc	2928.17	kPa	Joback Calculated Property
Inp	[1856.00; 1856.00]
Inp	1856.00		NIST
Inp	1856.00		NIST
Tboil	621.89	K	Joback Calculated Property
Tc	850.38	K	Joback Calculated Property
Tfus	361.29	K	Joback Calculated Property
Vc	0.622	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.54; 467.05]	J/mol×K	[621.89; 850.38]
Cp,gas	395.54	J/mol×K	621.89	Joback Calculated Property
Cp,gas	409.62	J/mol×K	659.97	Joback Calculated Property
Cp,gas	422.82	J/mol×K	698.05	Joback Calculated Property
Cp,gas	435.14	J/mol×K	736.13	Joback Calculated Property
Cp,gas	446.60	J/mol×K	774.22	Joback Calculated Property
Cp,gas	457.23	J/mol×K	812.30	Joback Calculated Property
Cp,gas	467.05	J/mol×K	850.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-(butylthio)-.

Sources

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

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