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

InChI

InChI=1S/C13H17F7O4/c1-8(2)6-23-9(21)4-3-5-10(22)24-7-11(14,15)12(16,17)13(18,19)20/h8H,3-7H2,1-2H3

InChI Key

JFMGKEYQCBYYDN-UHFFFAOYSA-N

Formula

C13H17F7O4

SMILES

CC(C)COC(=O)CCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

370.26

• 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).
• IE : Ionization energy (eV).
• 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	-2367.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.96	kJ/mol	Joback Calculated Property
ΔvapH°	70.06	kJ/mol	Relay (1.0) Calculated Property
IE	10.33	eV	Relay (1.0) Calculated Property
logPoct/wat	3.732		Crippen Calculated Property
McVol	221.300	ml/mol	McGowan Calculated Property
Pc	1365.67	kPa	Joback Calculated Property
Inp	[1497.00; 1497.00]
Inp	1497.00		NIST
Inp	1497.00		NIST
Tboil	509.88	K	Relay (1.0) Calculated Property
Tc	623.94	K	Relay (1.0) Calculated Property
Tfus	252.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[366.63; 760.66]	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			9.42500e+00
Coefficient B			1.59514e+00
Coefficient C			-1.12760e-03
Coefficient D			2.83700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.63	J/mol×K	273.00	Calculated Property
Cp,gas	445.18	J/mol×K	353.78	Calculated Property
Cp,gas	512.95	J/mol×K	434.56	Calculated Property
Cp,gas	570.82	J/mol×K	515.33	Calculated Property
Cp,gas	619.71	J/mol×K	596.11	Calculated Property
Cp,gas	660.50	J/mol×K	676.89	Calculated Property
Cp,gas	694.09	J/mol×K	757.67	Calculated Property
Cp,gas	721.39	J/mol×K	838.44	Calculated Property
Cp,gas	743.28	J/mol×K	919.22	Calculated Property
Cp,gas	760.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

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