Chemical Properties of 3-(Trifluoroacetylthio)benzoyl chloride

InChI

InChI=1S/C9H4ClF3O2S/c10-7(14)5-2-1-3-6(4-5)16-8(15)9(11,12)13/h1-4H

InChI Key

SWCJJWCTMSHJJS-UHFFFAOYSA-N

Formula

C9H4ClF3O2S

SMILES

O=C(Cl)c1cccc(SC(=O)C(F)(F)F)c1

Molecular Weight¹

268.64

• 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°	-690.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-800.14	kJ/mol	Joback Calculated Property
ΔfusH°	26.07	kJ/mol	Joback Calculated Property
ΔvapH°	59.51	kJ/mol	Joback Calculated Property
log10WS	-3.96		Crippen Calculated Property
logPoct/wat	3.247		Crippen Calculated Property
McVol	150.950	ml/mol	McGowan Calculated Property
Pc	3170.40	kPa	Joback Calculated Property
Inp	[1391.00; 1391.00]
Inp	1391.00		NIST
Inp	1391.00		NIST
Tboil	645.51	K	Joback Calculated Property
Tc	876.00	K	Joback Calculated Property
Tfus	398.50	K	Joback Calculated Property
Vc	0.590	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.35; 384.58]	J/mol×K	[645.51; 876.00]
Cp,gas	342.35	J/mol×K	645.51	Joback Calculated Property
Cp,gas	351.35	J/mol×K	683.92	Joback Calculated Property
Cp,gas	359.50	J/mol×K	722.34	Joback Calculated Property
Cp,gas	366.85	J/mol×K	760.75	Joback Calculated Property
Cp,gas	373.44	J/mol×K	799.17	Joback Calculated Property
Cp,gas	379.34	J/mol×K	837.58	Joback Calculated Property
Cp,gas	384.58	J/mol×K	876.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(Trifluoroacetylthio)benzoyl chloride.

Sources

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

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