Chemical Properties of Adipic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C20H30F8O4/c1-2-3-4-5-6-7-10-13-31-15(29)11-8-9-12-16(30)32-14-18(23,24)20(27,28)19(25,26)17(21)22/h17H,2-14H2,1H3

InChI Key

ADYXIWWLNXKHOY-UHFFFAOYSA-N

Formula

C20H30F8O4

SMILES

CCCCCCCCCOC(=O)CCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

486.44

• 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	-2623.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.17	kJ/mol	Joback Calculated Property
ΔvapH°	99.26	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.97		Relay (1.0) Calculated Property
logPoct/wat	6.555		Crippen Calculated Property
McVol	321.700	ml/mol	McGowan Calculated Property
Pc	853.47	kPa	Joback Calculated Property
Inp	[2124.00; 2124.00]
Inp	2124.00		NIST
Inp	2124.00		NIST
Tboil	605.38	K	Relay (1.0) Calculated Property
Tc	732.30	K	Relay (1.0) Calculated Property
Tfus	294.00	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	[523.33; 1128.87]	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			9.15300e+00
Coefficient B			2.27192e+00
Coefficient C			-1.52480e-03
Coefficient D			3.72600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	523.33	J/mol×K	273.00	Calculated Property
Cp,gas	638.56	J/mol×K	353.78	Calculated Property
Cp,gas	739.06	J/mol×K	434.56	Calculated Property
Cp,gas	826.00	J/mol×K	515.33	Calculated Property
Cp,gas	900.56	J/mol×K	596.11	Calculated Property
Cp,gas	963.92	J/mol×K	676.89	Calculated Property
Cp,gas	1017.25	J/mol×K	757.67	Calculated Property
Cp,gas	1061.73	J/mol×K	838.44	Calculated Property
Cp,gas	1098.55	J/mol×K	919.22	Calculated Property
Cp,gas	1128.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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