Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-phenoxybenzyl ester

InChI

InChI=1S/C21H20F4O5/c22-20(23)21(24,25)14-29-19(27)11-5-10-18(26)28-13-15-6-4-9-17(12-15)30-16-7-2-1-3-8-16/h1-4,6-9,12,20H,5,10-11,13-14H2

InChI Key

OBOKMVRMDGUVPR-UHFFFAOYSA-N

Formula

C21H20F4O5

SMILES

O=C(CCCC(=O)OCC(F)(F)C(F)F)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

428.37

• 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°	-1010.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1435.47	kJ/mol	Joback Calculated Property
ΔfusH°	45.98	kJ/mol	Joback Calculated Property
ΔvapH°	83.32	kJ/mol	Joback Calculated Property
log10WS	-5.69		Crippen Calculated Property
logPoct/wat	5.136		Crippen Calculated Property
McVol	287.060	ml/mol	McGowan Calculated Property
Pc	1408.01	kPa	Joback Calculated Property
Inp	[2570.00; 2570.00]
Inp	2570.00		NIST
Inp	2570.00		NIST
Tboil	906.63	K	Joback Calculated Property
Tc	1118.17	K	Joback Calculated Property
Tfus	548.12	K	Joback Calculated Property
Vc	1.117	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[896.70; 952.88]	J/mol×K	[906.63; 1118.17]
Cp,gas	896.70	J/mol×K	906.63	Joback Calculated Property
Cp,gas	908.93	J/mol×K	941.89	Joback Calculated Property
Cp,gas	919.95	J/mol×K	977.14	Joback Calculated Property
Cp,gas	929.81	J/mol×K	1012.40	Joback Calculated Property
Cp,gas	938.56	J/mol×K	1047.66	Joback Calculated Property
Cp,gas	946.23	J/mol×K	1082.91	Joback Calculated Property
Cp,gas	952.88	J/mol×K	1118.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-phenoxybenzyl ester.

Sources

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

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