Chemical Properties of 2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid butyl ester

InChI

InChI=1S/C9H9F9O2/c1-2-3-4-20-5(19)6(10,11)7(12,13)8(14,15)9(16,17)18/h2-4H2,1H3

InChI Key

MPAULUFXCUVYQJ-UHFFFAOYSA-N

Formula

C9H9F9O2

SMILES

CCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

320.15

Other Names

• Butyl perfluoropentanoate

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5506		Relay (1.0) Calculated Property
ΔfH°gas	-2354.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.50	kJ/mol	Joback Calculated Property
ΔvapH°	51.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.91	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	3.798		Crippen Calculated Property
McVol	161.040	ml/mol	McGowan Calculated Property
Pc	1727.46	kPa	Joback Calculated Property
Inp	[787.00; 787.30]
Inp	787.00		NIST
Inp	787.30		NIST
Tboil	411.15	K	Relay (1.0) Calculated Property
Tc	531.87	K	Relay (1.0) Calculated Property
Tfus	202.50	K	Relay (1.0) Calculated Property
Vc	0.626	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.69; 561.26]	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			-2.29570e+01
Coefficient B			1.41342e+00
Coefficient C			-1.20600e-03
Coefficient D			3.76800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.69	J/mol×K	273.00	Calculated Property
Cp,gas	342.82	J/mol×K	353.78	Calculated Property
Cp,gas	394.43	J/mol×K	434.56	Calculated Property
Cp,gas	436.72	J/mol×K	515.33	Calculated Property
Cp,gas	470.86	J/mol×K	596.11	Calculated Property
Cp,gas	498.07	J/mol×K	676.89	Calculated Property
Cp,gas	519.52	J/mol×K	757.67	Calculated Property
Cp,gas	536.40	J/mol×K	838.44	Calculated Property
Cp,gas	549.92	J/mol×K	919.22	Calculated Property
Cp,gas	561.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid butyl 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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