Chemical Properties of heptafluorobutanoic acid, nonyl ester

InChI

InChI=1S/C13H19F7O2/c1-2-3-4-5-6-7-8-9-22-10(21)11(14,15)12(16,17)13(18,19)20/h2-9H2,1H3

InChI Key

KKMYDVWFFLRAAN-UHFFFAOYSA-N

Formula

C13H19F7O2

SMILES

CCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

340.28

Other Names

• Nonyl 2,2,3,3,4,4,4-heptafluorobutanoate
• 1-Nonanol, heptafluorobutyrate
• Nonyl perfluorobutyrate
• Nonyl heptafluorobutanoate

• 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.
• I_p : 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	-2031.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.11	kJ/mol	Joback Calculated Property
ΔvapH°	66.72	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.04		Relay (1.0) Calculated Property
logPoct/wat	5.113		Crippen Calculated Property
McVol	213.860	ml/mol	McGowan Calculated Property
Pc	1352.64	kPa	Joback Calculated Property
Inp	[1201.00; 1208.90]
Inp	1201.00		NIST
Inp	1204.00		NIST
Inp	1201.00		NIST
Inp	1204.00		NIST
Inp	1208.90		NIST
Inp	1208.90		NIST
Ip	[1215.00; 1215.00]
Ip	1215.00		NIST
Ip	1215.00		NIST
Tboil	468.31	K	Relay (1.0) Calculated Property
Tc	588.04	K	Relay (1.0) Calculated Property
Tfus	227.02	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	[350.61; 752.02]	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			-1.43020e+01
Coefficient B			1.64402e+00
Coefficient C			-1.21900e-03
Coefficient D			3.41300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.61	J/mol×K	273.00	Calculated Property
Cp,gas	429.86	J/mol×K	353.78	Calculated Property
Cp,gas	497.93	J/mol×K	434.56	Calculated Property
Cp,gas	555.90	J/mol×K	515.33	Calculated Property
Cp,gas	604.84	J/mol×K	596.11	Calculated Property
Cp,gas	645.85	J/mol×K	676.89	Calculated Property
Cp,gas	679.99	J/mol×K	757.67	Calculated Property
Cp,gas	708.34	J/mol×K	838.44	Calculated Property
Cp,gas	731.99	J/mol×K	919.22	Calculated Property
Cp,gas	752.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to heptafluorobutanoic acid, nonyl 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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