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

InChI

InChI=1S/C16H18F4O4/c1-2-11-6-3-4-7-12(11)24-14(22)9-5-8-13(21)23-10-16(19,20)15(17)18/h3-4,6-7,15H,2,5,8-10H2,1H3

InChI Key

FOWAYKULBBLJDV-UHFFFAOYSA-N

Formula

C16H18F4O4

SMILES

CCc1ccccc1OC(=O)CCCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

350.31

• 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	0.8258		Relay (1.0) Calculated Property
ΔfG°	-1060.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1544.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.80	kJ/mol	Joback Calculated Property
ΔvapH°	86.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-4.37		Relay (1.0) Calculated Property
logPoct/wat	3.768		Crippen Calculated Property
McVol	234.500	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
Inp	[1871.00; 1871.00]
Inp	1871.00		NIST
Inp	1871.00		NIST
Tboil	590.65	K	Relay (1.0) Calculated Property
Tc	771.21	K	Relay (1.0) Calculated Property
Tfus	304.36	K	Relay (1.0) Calculated Property
Vc	0.862	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[682.14; 750.45]	J/mol×K	[743.13; 930.69]
Cp,gas	682.14	J/mol×K	743.13	Joback Calculated Property
Cp,gas	695.65	J/mol×K	774.39	Joback Calculated Property
Cp,gas	708.27	J/mol×K	805.65	Joback Calculated Property
Cp,gas	720.04	J/mol×K	836.91	Joback Calculated Property
Cp,gas	730.97	J/mol×K	868.17	Joback Calculated Property
Cp,gas	741.10	J/mol×K	899.43	Joback Calculated Property
Cp,gas	750.45	J/mol×K	930.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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