Chemical Properties of Benzoic acid, 3-(trifluoroacetylthio)-

InChI

InChI=1S/C9H5F3O3S/c10-9(11,12)8(15)16-6-3-1-2-5(4-6)7(13)14/h1-4H,(H,13,14)

InChI Key

PFYMLSCEXRUNLX-UHFFFAOYSA-N

Formula

C9H5F3O3S

SMILES

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

Molecular Weight¹

250.19

• 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°	-815.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-936.63	kJ/mol	Joback Calculated Property
ΔfusH°	25.96	kJ/mol	Joback Calculated Property
ΔvapH°	71.81	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	2.566		Crippen Calculated Property
McVol	144.580	ml/mol	McGowan Calculated Property
Pc	3686.49	kPa	Joback Calculated Property
Inp	[1504.00; 1504.00]
Inp	1504.00		NIST
Inp	1504.00		NIST
Tboil	700.26	K	Joback Calculated Property
Tc	910.85	K	Joback Calculated Property
Tfus	429.40	K	Joback Calculated Property
Vc	0.559	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.74; 398.30]	J/mol×K	[700.26; 910.85]
Cp,gas	361.74	J/mol×K	700.26	Joback Calculated Property
Cp,gas	369.39	J/mol×K	735.36	Joback Calculated Property
Cp,gas	376.37	J/mol×K	770.46	Joback Calculated Property
Cp,gas	382.71	J/mol×K	805.55	Joback Calculated Property
Cp,gas	388.45	J/mol×K	840.65	Joback Calculated Property
Cp,gas	393.64	J/mol×K	875.75	Joback Calculated Property
Cp,gas	398.30	J/mol×K	910.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-(trifluoroacetylthio)-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.