Chemical Properties of Perfluoro-pentan ethioic acid S-propyl ester

InChI

InChI=1S/C8H7F9OS/c1-2-3-19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h2-3H2,1H3

InChI Key

FVAPAUPISNCBRP-UHFFFAOYSA-N

Formula

C8H7F9OS

SMILES

CCCSC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

322.19

• 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.
• I : 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	0.4525		Relay (1.0) Calculated Property
ΔfG°	-1821.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-2146.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.27	kJ/mol	Joback Calculated Property
ΔvapH°	49.81	kJ/mol	Relay (1.0) Calculated Property
IE	10.13	eV	Relay (1.0) Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	4.124		Crippen Calculated Property
McVol	157.430	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[838.00; 854.00]
Inp	854.00		NIST
Inp	847.00		NIST
Inp	838.00		NIST
Inp	851.00		NIST
Inp	854.00		NIST
I	[869.00; 952.00]
I	923.00		NIST
I	897.00		NIST
I	869.00		NIST
I	952.00		NIST
Tboil	412.25	K	Relay (1.0) Calculated Property
Tc	537.53	K	Relay (1.0) Calculated Property
Tfus	216.17	K	Relay (1.0) Calculated Property
Vc	0.579	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[394.17; 453.15]	J/mol×K	[485.60; 645.50]
Cp,gas	394.17	J/mol×K	485.60	Joback Calculated Property
Cp,gas	405.97	J/mol×K	512.25	Joback Calculated Property
Cp,gas	416.92	J/mol×K	538.90	Joback Calculated Property
Cp,gas	427.07	J/mol×K	565.55	Joback Calculated Property
Cp,gas	436.46	J/mol×K	592.20	Joback Calculated Property
Cp,gas	445.14	J/mol×K	618.85	Joback Calculated Property
Cp,gas	453.15	J/mol×K	645.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perfluoro-pentan ethioic acid S-propyl ester.

Sources

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

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