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

InChI

InChI=1S/C18H26F8O4/c1-2-3-4-5-6-7-11-29-13(27)9-8-10-14(28)30-12-16(21,22)18(25,26)17(23,24)15(19)20/h15H,2-12H2,1H3

InChI Key

FEYWTHVGJAHALX-UHFFFAOYSA-N

Formula

C18H26F8O4

SMILES

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

Molecular Weight¹

458.39

• 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	-2583.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.99	kJ/mol	Joback Calculated Property
ΔvapH°	91.16	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.42		Relay (1.0) Calculated Property
logPoct/wat	5.775		Crippen Calculated Property
McVol	293.520	ml/mol	McGowan Calculated Property
Pc	957.91	kPa	Joback Calculated Property
Inp	[1982.00; 1982.00]
Inp	1982.00		NIST
Inp	1982.00		NIST
Tboil	587.85	K	Relay (1.0) Calculated Property
Tc	716.96	K	Relay (1.0) Calculated Property
Tfus	290.15	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	[480.90; 1025.69]	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			1.09710e+01
Coefficient B			2.08192e+00
Coefficient C			-1.41600e-03
Coefficient D			3.48800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	480.90	J/mol×K	273.00	Calculated Property
Cp,gas	585.73	J/mol×K	353.78	Calculated Property
Cp,gas	676.91	J/mol×K	434.56	Calculated Property
Cp,gas	755.54	J/mol×K	515.33	Calculated Property
Cp,gas	822.74	J/mol×K	596.11	Calculated Property
Cp,gas	879.59	J/mol×K	676.89	Calculated Property
Cp,gas	927.21	J/mol×K	757.67	Calculated Property
Cp,gas	966.70	J/mol×K	838.44	Calculated Property
Cp,gas	999.16	J/mol×K	919.22	Calculated Property
Cp,gas	1025.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.