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

InChI

InChI=1S/C10H11F9O2/c1-2-3-4-5-21-6(20)7(11,12)8(13,14)9(15,16)10(17,18)19/h2-5H2,1H3

InChI Key

CONLYJQXVPYISQ-UHFFFAOYSA-N

Formula

C10H11F9O2

SMILES

CCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

334.18

Other Names

• Pentyl perfluoropentanoate

• 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).
• 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	-2372.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.09	kJ/mol	Joback Calculated Property
ΔvapH°	53.94	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	4.188		Crippen Calculated Property
McVol	175.130	ml/mol	McGowan Calculated Property
Pc	1597.44	kPa	Joback Calculated Property
Inp	[881.60; 882.00]
Inp	882.00		NIST
Inp	881.60		NIST
Inp	882.00		NIST
Tboil	426.57	K	Relay (1.0) Calculated Property
Tc	548.22	K	Relay (1.0) Calculated Property
Tfus	211.94	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[301.90; 612.85]	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			-2.38660e+01
Coefficient B			1.50842e+00
Coefficient C			-1.26040e-03
Coefficient D			3.88700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	301.90	J/mol×K	273.00	Calculated Property
Cp,gas	369.24	J/mol×K	353.78	Calculated Property
Cp,gas	425.51	J/mol×K	434.56	Calculated Property
Cp,gas	471.95	J/mol×K	515.33	Calculated Property
Cp,gas	509.78	J/mol×K	596.11	Calculated Property
Cp,gas	540.23	J/mol×K	676.89	Calculated Property
Cp,gas	564.53	J/mol×K	757.67	Calculated Property
Cp,gas	583.92	J/mol×K	838.44	Calculated Property
Cp,gas	599.62	J/mol×K	919.22	Calculated Property
Cp,gas	612.85	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 pentyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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