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

InChI

InChI=1S/C8H7F9O2/c1-2-3-19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h2-3H2,1H3

InChI Key

CQTLZOHQVZFPOE-UHFFFAOYSA-N

Formula

C8H7F9O2

SMILES

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

Molecular Weight¹

306.13

Other Names

• Propyl 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).
• 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	-2336.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.91	kJ/mol	Joback Calculated Property
ΔvapH°	47.80	kJ/mol	Relay (1.0) Calculated Property
IE	10.99	eV	Relay (1.0) Calculated Property
log10WS	-4.59		Relay (1.0) Calculated Property
logPoct/wat	3.408		Crippen Calculated Property
McVol	146.950	ml/mol	McGowan Calculated Property
Pc	1874.03	kPa	Joback Calculated Property
Inp	[695.60; 696.00]
Inp	696.00		NIST
Inp	695.60		NIST
Inp	696.00		NIST
Tboil	398.09	K	Relay (1.0) Calculated Property
Tc	514.68	K	Relay (1.0) Calculated Property
Tfus	203.95	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[356.33; 419.51]	J/mol×K	[421.37; 560.80]
Cp,gas	356.33	J/mol×K	421.37	Joback Calculated Property
Cp,gas	368.56	J/mol×K	444.61	Joback Calculated Property
Cp,gas	380.07	J/mol×K	467.85	Joback Calculated Property
Cp,gas	390.90	J/mol×K	491.09	Joback Calculated Property
Cp,gas	401.06	J/mol×K	514.32	Joback Calculated Property
Cp,gas	410.59	J/mol×K	537.56	Joback Calculated Property
Cp,gas	419.51	J/mol×K	560.80	Joback Calculated Property

Similar Compounds

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