Chemical Properties of 3-(Pentafluoropropionylthio)benzoyl chloride

InChI

InChI=1S/C10H4ClF5O2S/c11-7(17)5-2-1-3-6(4-5)19-8(18)9(12,13)10(14,15)16/h1-4H

InChI Key

KAUIESJINPEJGR-UHFFFAOYSA-N

Formula

C10H4ClF5O2S

SMILES

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

Molecular Weight¹

318.65

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4962		Relay (1.0) Calculated Property
ΔfG°	-1068.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1293.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.41	kJ/mol	Joback Calculated Property
ΔvapH°	69.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	3.882		Crippen Calculated Property
McVol	168.580	ml/mol	McGowan Calculated Property
Pc	2648.83	kPa	Joback Calculated Property
Inp	[1395.00; 1395.00]
Inp	1395.00		NIST
Inp	1395.00		NIST
Tboil	511.21	K	Relay (1.0) Calculated Property
Tc	684.70	K	Relay (1.0) Calculated Property
Tfus	291.60	K	Relay (1.0) Calculated Property
Vc	0.567	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.42; 451.42]	J/mol×K	[663.70; 882.12]
Cp,gas	409.42	J/mol×K	663.70	Joback Calculated Property
Cp,gas	418.44	J/mol×K	700.10	Joback Calculated Property
Cp,gas	426.56	J/mol×K	736.51	Joback Calculated Property
Cp,gas	433.85	J/mol×K	772.91	Joback Calculated Property
Cp,gas	440.38	J/mol×K	809.31	Joback Calculated Property
Cp,gas	446.21	J/mol×K	845.72	Joback Calculated Property
Cp,gas	451.42	J/mol×K	882.12	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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