Chemical Properties of Propanoic acid, pentafluoro-, ethyl ester (CAS 426-65-3)

InChI

InChI=1S/C5H5F5O2/c1-2-12-3(11)4(6,7)5(8,9)10/h2H2,1H3

InChI Key

DBOFMRQAMAZKQY-UHFFFAOYSA-N

Formula

C5H5F5O2

SMILES

CCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

192.08

CAS

426-65-3

Other Names

• Ethyl perfluoropropionate
• Ethyl pentafluoropropionate
• 2,2,3,3,3-Pentafluoro-propionic acid ethyl ester
• Ethyl pentafluoropentanoate
• Pentafluoropropionic acid, ethyl ester

• 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	0.3666		Relay (1.0) Calculated Property
ΔfG°	-1287.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-1480.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.65	kJ/mol	Joback Calculated Property
ΔvapH°	39.01	kJ/mol	Relay (1.0) Calculated Property
IE	11.30	eV	Relay (1.0) Calculated Property
log10WS	-2.13		Relay (1.0) Calculated Property
logPoct/wat	1.747		Crippen Calculated Property
McVol	97.600	ml/mol	McGowan Calculated Property
Pc	2829.33	kPa	Joback Calculated Property
Inp	[510.00; 510.40]
Inp	510.00		NIST
Inp	510.40		NIST
Inp	510.00		NIST
Tboil	[348.50; 348.70]	K
Tboil	348.70	K	NIST
Tboil	348.50 ± 0.50	K	NIST
Tc	464.85	K	Relay (1.0) Calculated Property
Tfus	199.94	K	Relay (1.0) Calculated Property
Vc	0.370	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.96; 323.68]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.26100e+00
Coefficient B			7.34620e-01
Coefficient C			-5.79200e-04
Coefficient D			1.63000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.96	J/mol×K	273.00	Calculated Property
Cp,gas	199.88	J/mol×K	353.78	Calculated Property
Cp,gas	228.49	J/mol×K	434.56	Calculated Property
Cp,gas	252.33	J/mol×K	515.33	Calculated Property
Cp,gas	271.89	J/mol×K	596.11	Calculated Property
Cp,gas	287.69	J/mol×K	676.89	Calculated Property
Cp,gas	300.26	J/mol×K	757.67	Calculated Property
Cp,gas	310.10	J/mol×K	838.44	Calculated Property
Cp,gas	317.74	J/mol×K	919.22	Calculated Property
Cp,gas	323.68	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, pentafluoro-, ethyl ester.

Sources

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

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