Chemical Properties of Heptafluorobutyric acid, propyl ester

InChI

InChI=1S/C7H7F7O2/c1-2-3-16-4(15)5(8,9)6(10,11)7(12,13)14/h2-3H2,1H3

InChI Key

BBVCHFOOSHSLGN-UHFFFAOYSA-N

Formula

C7H7F7O2

SMILES

CCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

256.12

Other Names

• Propyl heptafluorobutanoate
• 2,2,3,3,4,4,4-Heptafluoro-butyric acid propyl ester

• 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.
• 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°	-1581.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1831.63	kJ/mol	Joback Calculated Property
ΔfusH°	15.99	kJ/mol	Joback Calculated Property
ΔvapH°	30.73	kJ/mol	Joback Calculated Property
log10WS	-2.91		Crippen Calculated Property
logPoct/wat	2.773		Crippen Calculated Property
McVol	129.320	ml/mol	McGowan Calculated Property
Pc	2263.26	kPa	Joback Calculated Property
Inp	[642.00; 671.00]
Inp	642.00		NIST
Inp	642.40		NIST
Inp	671.00		NIST
Inp	642.00		NIST
Tboil	421.05	K	Joback Calculated Property
Tc	569.35	K	Joback Calculated Property
Tfus	252.20	K	Joback Calculated Property
Vc	0.544	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.12; 359.97]	J/mol×K	[421.05; 569.35]
Cp,gas	303.12	J/mol×K	421.05	Joback Calculated Property
Cp,gas	314.06	J/mol×K	445.77	Joback Calculated Property
Cp,gas	324.38	J/mol×K	470.48	Joback Calculated Property
Cp,gas	334.11	J/mol×K	495.20	Joback Calculated Property
Cp,gas	343.27	J/mol×K	519.92	Joback Calculated Property
Cp,gas	351.88	J/mol×K	544.64	Joback Calculated Property
Cp,gas	359.97	J/mol×K	569.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptafluorobutyric acid, propyl ester.

Sources

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

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