Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-methylbutyl ester

InChI

InChI=1S/C13H20F4O4/c1-9(2)6-7-20-10(18)4-3-5-11(19)21-8-13(16,17)12(14)15/h9,12H,3-8H2,1-2H3

InChI Key

RJAKOBHLEZOMLJ-UHFFFAOYSA-N

Formula

C13H20F4O4

SMILES

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

Molecular Weight¹

316.29

• 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	-1724.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.02	kJ/mol	Joback Calculated Property
ΔvapH°	74.61	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.64		Relay (1.0) Calculated Property
logPoct/wat	3.190		Crippen Calculated Property
McVol	215.990	ml/mol	McGowan Calculated Property
Pc	1478.15	kPa	Joback Calculated Property
Inp	[1611.00; 1611.00]
Inp	1611.00		NIST
Inp	1611.00		NIST
Tboil	533.02	K	Relay (1.0) Calculated Property
Tc	685.52	K	Relay (1.0) Calculated Property
Tfus	276.32	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	[344.64; 737.06]	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			3.84160e+01
Coefficient B			1.31404e+00
Coefficient C			-7.38000e-04
Coefficient D			1.22600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	344.64	J/mol×K	273.00	Calculated Property
Cp,gas	416.36	J/mol×K	353.78	Calculated Property
Cp,gas	480.14	J/mol×K	434.56	Calculated Property
Cp,gas	536.37	J/mol×K	515.33	Calculated Property
Cp,gas	585.45	J/mol×K	596.11	Calculated Property
Cp,gas	627.76	J/mol×K	676.89	Calculated Property
Cp,gas	663.69	J/mol×K	757.67	Calculated Property
Cp,gas	693.62	J/mol×K	838.44	Calculated Property
Cp,gas	717.95	J/mol×K	919.22	Calculated Property
Cp,gas	737.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-methylbutyl ester.

Sources

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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