Chemical Properties of Pentafluoropropanoic acid methyl ester (CAS 378-75-6)

InChI

InChI=1S/C4H3F5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3

InChI Key

JMKJCPUVEMZGEC-UHFFFAOYSA-N

Formula

C4H3F5O2

SMILES

COC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

178.06

CAS

378-75-6

Other Names

• Methyl pentafluoropropionate
• Methyl pentafluoropropanoate
• Propanoic acid, pentafluoro-, methyl ester
• Propionic acid, pentafluoro-, methyl ester
• Methylester kyseliny pentafluorpropionove
• Pentafluoropropionic acid methyl ester
• Perfluoropropionic acid, methyl ester
• 2,2,3,3,3-Pentafluoro-propionic acid methyl ester

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔcH°liquid	-1434.60 ± 1.70	kJ/mol	NIST
ΔfG°	-1219.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1428.30 ± 2.80	kJ/mol	NIST
ΔfH°liquid	-1463.00 ± 1.80	kJ/mol	NIST
ΔfusH°	9.47	kJ/mol	Joback Calculated Property
ΔvapH°	35.00	kJ/mol	NIST
log10WS	-1.34		Crippen Calculated Property
logPoct/wat	1.357		Crippen Calculated Property
McVol	83.510	ml/mol	McGowan Calculated Property
Pc	3291.59	kPa	Joback Calculated Property
Inp	[437.00; 437.20]
Inp	437.00		NIST
Inp	437.20		NIST
Tboil	332.50 ± 0.50	K	NIST
Tc	511.61	K	Joback Calculated Property
Tfus	214.79	K	Joback Calculated Property
Vc	0.351	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.16; 213.39]	J/mol×K	[357.10; 511.61]
Cp,gas	173.16	J/mol×K	357.10	Joback Calculated Property
Cp,gas	180.89	J/mol×K	382.85	Joback Calculated Property
Cp,gas	188.19	J/mol×K	408.60	Joback Calculated Property
Cp,gas	195.07	J/mol×K	434.36	Joback Calculated Property
Cp,gas	201.56	J/mol×K	460.11	Joback Calculated Property
Cp,gas	207.66	J/mol×K	485.86	Joback Calculated Property
Cp,gas	213.39	J/mol×K	511.61	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Pentafluoropropanoic acid methyl ester.

Sources

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

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