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

InChI

InChI=1S/C11H13F9OS/c1-2-3-4-5-6-22-7(21)8(12,13)9(14,15)10(16,17)11(18,19)20/h2-6H2,1H3

InChI Key

PRQRSELZKXTBTC-UHFFFAOYSA-N

Formula

C11H13F9OS

SMILES

CCCCCCSC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

364.27

• 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.
• 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
ΔfG°	-1795.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-2141.07	kJ/mol	Joback Calculated Property
ΔfusH°	28.04	kJ/mol	Joback Calculated Property
ΔvapH°	41.11	kJ/mol	Joback Calculated Property
log10WS	-5.69		Crippen Calculated Property
logPoct/wat	5.295		Crippen Calculated Property
McVol	199.700	ml/mol	McGowan Calculated Property
Pc	1570.96	kPa	Joback Calculated Property
Inp	[1124.00; 1138.00]
Inp	1138.00		NIST
Inp	1131.00		NIST
Inp	1124.00		NIST
Inp	1138.00		NIST
I	[1150.00; 1207.00]
I	1207.00		NIST
I	1180.00		NIST
I	1154.00		NIST
I	1150.00		NIST
I	1207.00		NIST
Tboil	554.24	K	Joback Calculated Property
Tc	712.50	K	Joback Calculated Property
Tfus	313.05	K	Joback Calculated Property
Vc	0.830	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[534.04; 601.02]	J/mol×K	[554.24; 712.50]
Cp,gas	534.04	J/mol×K	554.24	Joback Calculated Property
Cp,gas	547.19	J/mol×K	580.62	Joback Calculated Property
Cp,gas	559.49	J/mol×K	606.99	Joback Calculated Property
Cp,gas	570.97	J/mol×K	633.37	Joback Calculated Property
Cp,gas	581.69	J/mol×K	659.75	Joback Calculated Property
Cp,gas	591.69	J/mol×K	686.12	Joback Calculated Property
Cp,gas	601.02	J/mol×K	712.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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