Chemical Properties of Acetic 3-(acetylsulfanyl)benzoic anhydride

InChI

InChI=1S/C11H10O4S/c1-7(12)15-11(14)9-4-3-5-10(6-9)16-8(2)13/h3-6H,1-2H3

InChI Key

MHOVADNDAZLWCF-UHFFFAOYSA-N

Formula

C11H10O4S

SMILES

CC(=O)OC(=O)c1cccc(SC(C)=O)c1

Molecular Weight¹

238.26

• 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°	-314.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-473.40	kJ/mol	Joback Calculated Property
ΔfusH°	28.01	kJ/mol	Joback Calculated Property
ΔvapH°	72.48	kJ/mol	Joback Calculated Property
log10WS	-2.85		Crippen Calculated Property
logPoct/wat	2.029		Crippen Calculated Property
McVol	169.020	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[1856.30; 1856.30]
Inp	1856.30		NIST
Inp	1856.30		NIST
Tboil	735.55	K	Joback Calculated Property
Tc	975.26	K	Joback Calculated Property
Tfus	459.09	K	Joback Calculated Property
Vc	0.633	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[422.69; 474.08]	J/mol×K	[735.55; 975.26]
Cp,gas	422.69	J/mol×K	735.55	Joback Calculated Property
Cp,gas	433.69	J/mol×K	775.50	Joback Calculated Property
Cp,gas	443.71	J/mol×K	815.45	Joback Calculated Property
Cp,gas	452.75	J/mol×K	855.41	Joback Calculated Property
Cp,gas	460.83	J/mol×K	895.36	Joback Calculated Property
Cp,gas	467.94	J/mol×K	935.31	Joback Calculated Property
Cp,gas	474.08	J/mol×K	975.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic 3-(acetylsulfanyl)benzoic anhydride.

Sources

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

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