Chemical Properties of 4-(Methylthio)benzoic acetic anhydride

InChI

InChI=1S/C10H10O3S/c1-7(11)13-10(12)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3

InChI Key

IRXYDOGVPASQSA-UHFFFAOYSA-N

Formula

C10H10O3S

SMILES

CSc1ccc(C(=O)OC(C)=O)cc1

Molecular Weight¹

210.25

• 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°	-193.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.18	kJ/mol	Joback Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	63.51	kJ/mol	Joback Calculated Property
log10WS	-2.65		Crippen Calculated Property
logPoct/wat	2.112		Crippen Calculated Property
McVol	153.360	ml/mol	McGowan Calculated Property
Pc	3318.18	kPa	Joback Calculated Property
Inp	[1779.00; 1779.00]
Inp	1779.00		NIST
Inp	1779.00		NIST
Tboil	658.80	K	Joback Calculated Property
Tc	897.86	K	Joback Calculated Property
Tfus	397.89	K	Joback Calculated Property
Vc	0.572	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.90; 421.40]	J/mol×K	[658.80; 897.86]
Cp,gas	362.90	J/mol×K	658.80	Joback Calculated Property
Cp,gas	374.85	J/mol×K	698.64	Joback Calculated Property
Cp,gas	385.92	J/mol×K	738.49	Joback Calculated Property
Cp,gas	396.11	J/mol×K	778.33	Joback Calculated Property
Cp,gas	405.42	J/mol×K	818.17	Joback Calculated Property
Cp,gas	413.85	J/mol×K	858.01	Joback Calculated Property
Cp,gas	421.40	J/mol×K	897.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(Methylthio)benzoic acetic anhydride.

Sources

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

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