Chemical Properties of Heptafluorobutyric acid, n-tetradecyl ester (CAS 7365-36-8)

InChI

InChI=1S/C18H29F7O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-27-15(26)16(19,20)17(21,22)18(23,24)25/h2-14H2,1H3

InChI Key

QIUJCCVBRUUHMI-UHFFFAOYSA-N

Formula

C18H29F7O2

SMILES

CCCCCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

410.41

CAS

7365-36-8

• 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	-2125.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.06	kJ/mol	Joback Calculated Property
ΔvapH°	88.43	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.51		Relay (1.0) Calculated Property
logPoct/wat	7.064		Crippen Calculated Property
McVol	284.310	ml/mol	McGowan Calculated Property
Pc	977.17	kPa	Joback Calculated Property
Inp	[1657.00; 1672.60]
Inp	1668.00		NIST
Inp	1657.00		NIST
Inp	1672.60		NIST
Inp	1668.00		NIST
Inp	1657.00		NIST
Inp	1672.60		NIST
Ip	[1701.00; 1701.00]
Ip	1701.00		NIST
Ip	1701.00		NIST
Tboil	533.89	K	Relay (1.0) Calculated Property
Tc	649.98	K	Relay (1.0) Calculated Property
Tfus	257.57	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	[456.68; 1009.97]	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			-1.88470e+01
Coefficient B			2.11902e+00
Coefficient C			-1.49100e-03
Coefficient D			4.00800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	456.68	J/mol×K	273.00	Calculated Property
Cp,gas	561.95	J/mol×K	353.78	Calculated Property
Cp,gas	653.32	J/mol×K	434.56	Calculated Property
Cp,gas	732.04	J/mol×K	515.33	Calculated Property
Cp,gas	799.40	J/mol×K	596.11	Calculated Property
Cp,gas	856.65	J/mol×K	676.89	Calculated Property
Cp,gas	905.07	J/mol×K	757.67	Calculated Property
Cp,gas	945.92	J/mol×K	838.44	Calculated Property
Cp,gas	980.46	J/mol×K	919.22	Calculated Property
Cp,gas	1009.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Heptafluorobutyric acid, n-tetradecyl 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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