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

InChI

InChI=1S/C21H21F3O5/c1-15(21(22,23)24)28-20(26)12-6-11-19(25)27-14-16-7-5-10-18(13-16)29-17-8-3-2-4-9-17/h2-5,7-10,13,15H,6,11-12,14H2,1H3

InChI Key

ONVBPOIYIXKSPR-UHFFFAOYSA-N

Formula

C21H21F3O5

SMILES

CC(OC(=O)CCCC(=O)OCc1cccc(Oc2ccccc2)c1)C(F)(F)F

Molecular Weight¹

410.38

• 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	0.9072		Relay (1.0) Calculated Property
ΔfG°	-815.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1398.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.90	kJ/mol	Joback Calculated Property
ΔvapH°	107.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	-5.23		Relay (1.0) Calculated Property
logPoct/wat	5.186		Crippen Calculated Property
McVol	285.290	ml/mol	McGowan Calculated Property
Pc	1456.79	kPa	Joback Calculated Property
Inp	[2477.00; 2477.00]
Inp	2477.00		NIST
Inp	2477.00		NIST
Tboil	678.17	K	Relay (1.0) Calculated Property
Tc	867.48	K	Relay (1.0) Calculated Property
Tfus	308.05	K	Relay (1.0) Calculated Property
Vc	1.027	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[889.50; 947.11]	J/mol×K	[907.36; 1122.83]
Cp,gas	889.50	J/mol×K	907.36	Joback Calculated Property
Cp,gas	902.07	J/mol×K	943.27	Joback Calculated Property
Cp,gas	913.40	J/mol×K	979.18	Joback Calculated Property
Cp,gas	923.51	J/mol×K	1015.09	Joback Calculated Property
Cp,gas	932.47	J/mol×K	1051.01	Joback Calculated Property
Cp,gas	940.32	J/mol×K	1086.92	Joback Calculated Property
Cp,gas	947.11	J/mol×K	1122.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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