Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester

InChI

InChI=1S/C15H14F3NO4/c1-10(15(16,17)18)22-13(20)3-2-4-14(21)23-12-7-5-11(9-19)6-8-12/h5-8,10H,2-4H2,1H3

InChI Key

REESAFQZGUNGSO-UHFFFAOYSA-N

Formula

C15H14F3NO4

SMILES

CC(OC(=O)CCCC(=O)Oc1ccc(C#N)cc1)C(F)(F)F

Molecular Weight¹

329.27

• 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°	-740.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1054.95	kJ/mol	Joback Calculated Property
ΔfusH°	33.64	kJ/mol	Joback Calculated Property
ΔvapH°	76.58	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	3.128		Crippen Calculated Property
McVol	220.020	ml/mol	McGowan Calculated Property
Pc	1760.97	kPa	Joback Calculated Property
Inp	[2023.00; 2023.00]
Inp	2023.00		NIST
Inp	2023.00		NIST
Tboil	823.06	K	Joback Calculated Property
Tc	1030.55	K	Joback Calculated Property
Tfus	496.25	K	Joback Calculated Property
Vc	0.878	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[640.88; 692.05]	J/mol×K	[823.06; 1030.55]
Cp,gas	640.88	J/mol×K	823.06	Joback Calculated Property
Cp,gas	651.55	J/mol×K	857.64	Joback Calculated Property
Cp,gas	661.33	J/mol×K	892.22	Joback Calculated Property
Cp,gas	670.24	J/mol×K	926.80	Joback Calculated Property
Cp,gas	678.31	J/mol×K	961.39	Joback Calculated Property
Cp,gas	685.57	J/mol×K	995.97	Joback Calculated Property
Cp,gas	692.05	J/mol×K	1030.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester.

Sources

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

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