Chemical Properties of Glutaric acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C22H34F8O4/c1-2-3-4-5-6-7-8-9-10-11-15-33-17(31)13-12-14-18(32)34-16-20(25,26)22(29,30)21(27,28)19(23)24/h19H,2-16H2,1H3

InChI Key

PJENGLAOUALCPL-UHFFFAOYSA-N

Formula

C22H34F8O4

SMILES

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

Molecular Weight¹

514.49

• 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	-2659.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.35	kJ/mol	Joback Calculated Property
ΔvapH°	107.70	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.63		Relay (1.0) Calculated Property
logPoct/wat	7.335		Crippen Calculated Property
McVol	349.880	ml/mol	McGowan Calculated Property
Pc	765.21	kPa	Joback Calculated Property
Inp	[2362.00; 2362.00]
Inp	2362.00		NIST
Inp	2362.00		NIST
Tboil	627.89	K	Relay (1.0) Calculated Property
Tc	752.76	K	Relay (1.0) Calculated Property
Tfus	305.92	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	[565.75; 1232.06]	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			7.33500e+00
Coefficient B			2.46192e+00
Coefficient C			-1.63360e-03
Coefficient D			3.96400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	565.75	J/mol×K	273.00	Calculated Property
Cp,gas	691.40	J/mol×K	353.78	Calculated Property
Cp,gas	801.22	J/mol×K	434.56	Calculated Property
Cp,gas	896.46	J/mol×K	515.33	Calculated Property
Cp,gas	978.38	J/mol×K	596.11	Calculated Property
Cp,gas	1048.24	J/mol×K	676.89	Calculated Property
Cp,gas	1107.28	J/mol×K	757.67	Calculated Property
Cp,gas	1156.76	J/mol×K	838.44	Calculated Property
Cp,gas	1197.93	J/mol×K	919.22	Calculated Property
Cp,gas	1232.05	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodecyl 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

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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