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

InChI

InChI=1S/C15H14F4O5/c16-14(17)15(18,19)9-23-12(21)6-3-7-13(22)24-11-5-2-1-4-10(11)8-20/h1-2,4-5,8,14H,3,6-7,9H2

InChI Key

OHEDQDZEASKTMT-UHFFFAOYSA-N

Formula

C15H14F4O5

SMILES

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

Molecular Weight¹

350.26

• 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	0.8435		Relay (1.0) Calculated Property
ΔfG°	-1168.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-1605.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.50	kJ/mol	Joback Calculated Property
ΔvapH°	87.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.56	eV	Relay (1.0) Calculated Property
log10WS	-3.80		Relay (1.0) Calculated Property
logPoct/wat	3.018		Crippen Calculated Property
McVol	221.980	ml/mol	McGowan Calculated Property
Pc	1843.58	kPa	Joback Calculated Property
Inp	[2031.00; 2031.00]
Inp	2031.00		NIST
Inp	2031.00		NIST
Tboil	602.47	K	Relay (1.0) Calculated Property
Tc	807.16	K	Relay (1.0) Calculated Property
Tfus	322.75	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[642.92; 699.66]	J/mol×K	[768.91; 961.41]
Cp,gas	642.92	J/mol×K	768.91	Joback Calculated Property
Cp,gas	654.42	J/mol×K	800.99	Joback Calculated Property
Cp,gas	665.07	J/mol×K	833.08	Joback Calculated Property
Cp,gas	674.89	J/mol×K	865.16	Joback Calculated Property
Cp,gas	683.91	J/mol×K	897.24	Joback Calculated Property
Cp,gas	692.16	J/mol×K	929.32	Joback Calculated Property
Cp,gas	699.66	J/mol×K	961.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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