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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1918.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.57	kJ/mol	Joback Calculated Property
ΔvapH°	43.15	kJ/mol	Relay (1.0) Calculated Property
IE	11.14	eV	Relay (1.0) Calculated Property
log10WS	-3.58		Relay (1.0) Calculated Property
logPoct/wat	2.773		Crippen Calculated Property
McVol	129.320	ml/mol	McGowan Calculated Property
Pc	2177.49	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	377.71	K	Relay (1.0) Calculated Property
Tc	493.98	K	Relay (1.0) Calculated Property
Tfus	188.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.33; 442.47]	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			-8.84800e+00
Coefficient B			1.07402e+00
Coefficient C			-8.92600e-04
Coefficient D			2.69900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.33	J/mol×K	273.00	Calculated Property
Cp,gas	271.35	J/mol×K	353.78	Calculated Property
Cp,gas	311.46	J/mol×K	434.56	Calculated Property
Cp,gas	344.52	J/mol×K	515.33	Calculated Property
Cp,gas	371.38	J/mol×K	596.11	Calculated Property
Cp,gas	392.88	J/mol×K	676.89	Calculated Property
Cp,gas	409.89	J/mol×K	757.67	Calculated Property
Cp,gas	423.25	J/mol×K	838.44	Calculated Property
Cp,gas	433.83	J/mol×K	919.22	Calculated Property
Cp,gas	442.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Heptafluorobutyric acid, propyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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