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

InChI

InChI=1S/C10H11F9OS/c1-2-3-4-5-21-6(20)7(11,12)8(13,14)9(15,16)10(17,18)19/h2-5H2,1H3

InChI Key

NJYRWUMITCPWHB-UHFFFAOYSA-N

Formula

C10H11F9OS

SMILES

CCCCCSC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

350.24

• 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°	-1804.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-2120.43	kJ/mol	Joback Calculated Property
ΔfusH°	25.45	kJ/mol	Joback Calculated Property
ΔvapH°	38.88	kJ/mol	Joback Calculated Property
log10WS	-5.27		Crippen Calculated Property
logPoct/wat	4.905		Crippen Calculated Property
McVol	185.610	ml/mol	McGowan Calculated Property
Pc	1697.70	kPa	Joback Calculated Property
Inp	[1026.00; 1041.00]
Inp	1041.00		NIST
Inp	1034.00		NIST
Inp	1026.00		NIST
Inp	1041.00		NIST
I	[1050.00; 1109.00]
I	1109.00		NIST
I	1080.00		NIST
I	1055.00		NIST
I	1050.00		NIST
I	1109.00		NIST
Tboil	531.36	K	Joback Calculated Property
Tc	690.02	K	Joback Calculated Property
Tfus	301.78	K	Joback Calculated Property
Vc	0.773	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[485.90; 550.46]	J/mol×K	[531.36; 690.02]
Cp,gas	485.90	J/mol×K	531.36	Joback Calculated Property
Cp,gas	498.64	J/mol×K	557.80	Joback Calculated Property
Cp,gas	510.54	J/mol×K	584.25	Joback Calculated Property
Cp,gas	521.62	J/mol×K	610.69	Joback Calculated Property
Cp,gas	531.94	J/mol×K	637.13	Joback Calculated Property
Cp,gas	541.54	J/mol×K	663.58	Joback Calculated Property
Cp,gas	550.46	J/mol×K	690.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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