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

InChI

InChI=1S/C9H9F9OS/c1-2-3-4-20-5(19)6(10,11)7(12,13)8(14,15)9(16,17)18/h2-4H2,1H3

InChI Key

ZYEPLCLZSHCXDZ-UHFFFAOYSA-N

Formula

C9H9F9OS

SMILES

CCCCSC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

336.22

• 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	0.4911		Relay (1.0) Calculated Property
ΔfG°	-1812.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-2163.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.86	kJ/mol	Joback Calculated Property
ΔvapH°	53.49	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-5.38		Relay (1.0) Calculated Property
logPoct/wat	4.514		Crippen Calculated Property
McVol	171.520	ml/mol	McGowan Calculated Property
Pc	1840.41	kPa	Joback Calculated Property
Inp	[931.00; 953.00]
Inp	946.00		NIST
Inp	941.00		NIST
Inp	931.00		NIST
Inp	953.00		NIST
Inp	946.00		NIST
I	[945.00; 1008.00]
I	1008.00		NIST
I	983.00		NIST
I	957.00		NIST
I	945.00		NIST
I	1008.00		NIST
Tboil	428.30	K	Relay (1.0) Calculated Property
Tc	550.39	K	Relay (1.0) Calculated Property
Tfus	216.77	K	Relay (1.0) Calculated Property
Vc	0.628	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.25; 501.16]	J/mol×K	[508.48; 667.70]
Cp,gas	439.25	J/mol×K	508.48	Joback Calculated Property
Cp,gas	451.54	J/mol×K	535.02	Joback Calculated Property
Cp,gas	462.99	J/mol×K	561.55	Joback Calculated Property
Cp,gas	473.63	J/mol×K	588.09	Joback Calculated Property
Cp,gas	483.51	J/mol×K	614.63	Joback Calculated Property
Cp,gas	492.67	J/mol×K	641.17	Joback Calculated Property
Cp,gas	501.16	J/mol×K	667.70	Joback Calculated Property

Similar Compounds

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

Sources

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

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