Chemical Properties of Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl ester

InChI

InChI=1S/C20H31F7O4/c1-2-3-4-5-6-7-8-9-10-14-30-16(28)12-11-13-17(29)31-15-18(21,22)19(23,24)20(25,26)27/h2-15H2,1H3

InChI Key

KXKYGINWGSUGTG-UHFFFAOYSA-N

Formula

C20H31F7O4

SMILES

CCCCCCCCCCCOC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

468.45

• 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	-2477.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.61	kJ/mol	Joback Calculated Property
ΔvapH°	96.95	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.95		Relay (1.0) Calculated Property
logPoct/wat	6.607		Crippen Calculated Property
McVol	319.930	ml/mol	McGowan Calculated Property
Pc	872.22	kPa	Joback Calculated Property
Inp	[2258.00; 2258.00]
Inp	2258.00		NIST
Inp	2258.00		NIST
Tboil	595.04	K	Relay (1.0) Calculated Property
Tc	701.32	K	Relay (1.0) Calculated Property
Tfus	269.14	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	[515.44; 1121.26]	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			4.74400e+00
Coefficient B			2.25422e+00
Coefficient C			-1.50520e-03
Coefficient D			3.67500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	515.44	J/mol×K	273.00	Calculated Property
Cp,gas	630.12	J/mol×K	353.78	Calculated Property
Cp,gas	730.25	J/mol×K	434.56	Calculated Property
Cp,gas	816.98	J/mol×K	515.33	Calculated Property
Cp,gas	891.49	J/mol×K	596.11	Calculated Property
Cp,gas	954.93	J/mol×K	676.89	Calculated Property
Cp,gas	1008.46	J/mol×K	757.67	Calculated Property
Cp,gas	1053.25	J/mol×K	838.44	Calculated Property
Cp,gas	1090.47	J/mol×K	919.22	Calculated Property
Cp,gas	1121.26	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl undecyl 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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