Chemical Properties of Glutaric acid, ethyl 1-phenyl-2,2,2-trifluoroethyl ester

InChI

InChI=1S/C15H17F3O4/c1-2-21-12(19)9-6-10-13(20)22-14(15(16,17)18)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3

InChI Key

MXUMVQXSIURNCR-UHFFFAOYSA-N

Formula

C15H17F3O4

SMILES

CCOC(=O)CCCC(=O)OC(c1ccccc1)C(F)(F)F

Molecular Weight¹

318.29

• 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	0.6933		Relay (1.0) Calculated Property
ΔfG°	-864.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-1386.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.52	kJ/mol	Joback Calculated Property
ΔvapH°	84.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	3.567		Crippen Calculated Property
McVol	218.640	ml/mol	McGowan Calculated Property
Pc	1821.61	kPa	Joback Calculated Property
Inp	[1780.00; 1780.00]
Inp	1780.00		NIST
Inp	1780.00		NIST
Tboil	558.53	K	Relay (1.0) Calculated Property
Tc	743.67	K	Relay (1.0) Calculated Property
Tfus	287.03	K	Relay (1.0) Calculated Property
Vc	0.791	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[620.97; 690.33]	J/mol×K	[716.00; 909.33]
Cp,gas	620.97	J/mol×K	716.00	Joback Calculated Property
Cp,gas	634.74	J/mol×K	748.22	Joback Calculated Property
Cp,gas	647.58	J/mol×K	780.44	Joback Calculated Property
Cp,gas	659.52	J/mol×K	812.66	Joback Calculated Property
Cp,gas	670.61	J/mol×K	844.89	Joback Calculated Property
Cp,gas	680.87	J/mol×K	877.11	Joback Calculated Property
Cp,gas	690.33	J/mol×K	909.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 1-phenyl-2,2,2-trifluoroethyl ester.

Sources

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

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