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

InChI

InChI=1S/C15H16F4O4/c1-10-5-2-3-6-11(10)23-13(21)8-4-7-12(20)22-9-15(18,19)14(16)17/h2-3,5-6,14H,4,7-9H2,1H3

InChI Key

FEVXQLKUCCQDDF-UHFFFAOYSA-N

Formula

C15H16F4O4

SMILES

Cc1ccccc1OC(=O)CCCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

336.28

• 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	0.7906		Relay (... Calculated Property
ΔfG°	-1068.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1524.60	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.21	kJ/mol	Joback Calculated Property
ΔvapH°	85.15	kJ/mol	Relay (... Calculated Property
IE	8.99	eV	Relay (... Calculated Property
log10WS	-3.94		Relay (... Calculated Property
logPoct/wat	3.514		Crippen Calculated Property
McVol	220.410	ml/mol	McGowan Calculated Property
Pc	1731.78	kPa	Joback Calculated Property
Inp	[1814.00; 1814.00]
Inp	1814.00		NIST
Inp	1814.00		NIST
Tboil	582.03	K	Relay (... Calculated Property
Tc	768.46	K	Relay (... Calculated Property
Tfus	321.75	K	Relay (... Calculated Property
Vc	0.810	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.94; 694.41]	J/mol×K	[720.25; 908.26]
Cp,gas	627.94	J/mol×K	720.25	Joback Calculated Property
Cp,gas	641.07	J/mol×K	751.59	Joback Calculated Property
Cp,gas	653.35	J/mol×K	782.92	Joback Calculated Property
Cp,gas	664.80	J/mol×K	814.26	Joback Calculated Property
Cp,gas	675.44	J/mol×K	845.59	Joback Calculated Property
Cp,gas	685.30	J/mol×K	876.93	Joback Calculated Property
Cp,gas	694.41	J/mol×K	908.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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