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

InChI

InChI=1S/C13H19F3O4/c1-3-4-5-9-19-11(17)7-6-8-12(18)20-10(2)13(14,15)16/h4-5,10H,3,6-9H2,1-2H3/b5-4+

InChI Key

KKKVVKOMSZVLEC-SNAWJCMRSA-N

Formula

C13H19F3O4

SMILES

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

Molecular Weight¹

296.28

• 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).
• 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
ΔfG°	-913.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1286.39	kJ/mol	Joback Calculated Property
ΔfusH°	33.50	kJ/mol	Joback Calculated Property
ΔvapH°	58.67	kJ/mol	Joback Calculated Property
log10WS	-3.62		Crippen Calculated Property
logPoct/wat	3.160		Crippen Calculated Property
McVol	209.920	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[1470.00; 1470.00]
Inp	1470.00		NIST
Inp	1470.00		NIST
Tboil	647.72	K	Joback Calculated Property
Tc	821.37	K	Joback Calculated Property
Tfus	364.70	K	Joback Calculated Property
Vc	0.829	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[574.23; 646.20]	J/mol×K	[647.72; 821.37]
Cp,gas	574.23	J/mol×K	647.72	Joback Calculated Property
Cp,gas	587.93	J/mol×K	676.66	Joback Calculated Property
Cp,gas	600.92	J/mol×K	705.60	Joback Calculated Property
Cp,gas	613.22	J/mol×K	734.55	Joback Calculated Property
Cp,gas	624.85	J/mol×K	763.49	Joback Calculated Property
Cp,gas	635.83	J/mol×K	792.43	Joback Calculated Property
Cp,gas	646.20	J/mol×K	821.37	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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