Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C13H19F3O4/c1-9(2)7-8-19-11(17)5-4-6-12(18)20-10(3)13(14,15)16/h7,10H,4-6,8H2,1-3H3

InChI Key

GFHZLCDKQUTHPB-UHFFFAOYSA-N

Formula

C13H19F3O4

SMILES

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

Molecular Weight¹

296.28

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6662		Relay (1.0) Calculated Property
ΔfG°	-921.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1495.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.19	kJ/mol	Joback Calculated Property
ΔvapH°	70.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	3.160		Crippen Calculated Property
McVol	209.920	ml/mol	McGowan Calculated Property
Pc	1700.50	kPa	Joback Calculated Property
Inp	[1470.00; 1470.00]
Inp	1470.00		NIST
Inp	1470.00		NIST
Tboil	518.15	K	Relay (1.0) Calculated Property
Tc	666.07	K	Relay (1.0) Calculated Property
Tfus	277.25	K	Relay (1.0) Calculated Property
Vc	0.760	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.96; 646.58]	J/mol×K	[647.60; 823.36]
Cp,gas	573.96	J/mol×K	647.60	Joback Calculated Property
Cp,gas	587.80	J/mol×K	676.89	Joback Calculated Property
Cp,gas	600.91	J/mol×K	706.19	Joback Calculated Property
Cp,gas	613.33	J/mol×K	735.48	Joback Calculated Property
Cp,gas	625.06	J/mol×K	764.78	Joback Calculated Property
Cp,gas	636.13	J/mol×K	794.07	Joback Calculated Property
Cp,gas	646.58	J/mol×K	823.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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