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

InChI

InChI=1S/C10H5F5O3S/c11-9(12,10(13,14)15)8(18)19-6-3-1-2-5(4-6)7(16)17/h1-4H,(H,16,17)

InChI Key

VRTCZLDKAZAKNU-UHFFFAOYSA-N

Formula

C10H5F5O3S

SMILES

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

Molecular Weight¹

300.20

• 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°	-1193.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1358.24	kJ/mol	Joback Calculated Property
ΔfusH°	27.30	kJ/mol	Joback Calculated Property
ΔvapH°	71.10	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.201		Crippen Calculated Property
McVol	162.210	ml/mol	McGowan Calculated Property
Pc	3038.96	kPa	Joback Calculated Property
Inp	[1507.00; 1507.00]
Inp	1507.00		NIST
Inp	1507.00		NIST
Tboil	718.45	K	Joback Calculated Property
Tc	920.35	K	Joback Calculated Property
Tfus	444.27	K	Joback Calculated Property
Vc	0.640	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.72; 465.88]	J/mol×K	[718.45; 920.35]
Cp,gas	429.72	J/mol×K	718.45	Joback Calculated Property
Cp,gas	437.33	J/mol×K	752.10	Joback Calculated Property
Cp,gas	444.22	J/mol×K	785.75	Joback Calculated Property
Cp,gas	450.47	J/mol×K	819.40	Joback Calculated Property
Cp,gas	456.13	J/mol×K	853.05	Joback Calculated Property
Cp,gas	461.25	J/mol×K	886.70	Joback Calculated Property
Cp,gas	465.88	J/mol×K	920.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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