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

InChI

InChI=1S/C17H20F4O4/c1-11(2)12-6-3-4-7-13(12)25-15(23)9-5-8-14(22)24-10-17(20,21)16(18)19/h3-4,6-7,11,16H,5,8-10H2,1-2H3

InChI Key

VDGUXUVUZSFFGQ-UHFFFAOYSA-N

Formula

C17H20F4O4

SMILES

CC(C)c1ccccc1OC(=O)CCCC(=O)OCC(F)(F)C(F)F

Molecular Weight¹

364.33

• 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	0.8282		Relay (1.0) Calculated Property
ΔfG°	-1054.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1568.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.87	kJ/mol	Joback Calculated Property
ΔvapH°	89.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-4.72		Relay (1.0) Calculated Property
logPoct/wat	4.329		Crippen Calculated Property
McVol	248.590	ml/mol	McGowan Calculated Property
Pc	1494.19	kPa	Joback Calculated Property
Inp	[1918.00; 1918.00]
Inp	1918.00		NIST
Inp	1918.00		NIST
Tboil	592.65	K	Relay (1.0) Calculated Property
Tc	781.20	K	Relay (1.0) Calculated Property
Tfus	325.70	K	Relay (1.0) Calculated Property
Vc	0.909	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.96; 808.45]	J/mol×K	[765.57; 955.20]
Cp,gas	737.96	J/mol×K	765.57	Joback Calculated Property
Cp,gas	751.97	J/mol×K	797.17	Joback Calculated Property
Cp,gas	765.04	J/mol×K	828.78	Joback Calculated Property
Cp,gas	777.19	J/mol×K	860.38	Joback Calculated Property
Cp,gas	788.45	J/mol×K	891.99	Joback Calculated Property
Cp,gas	798.86	J/mol×K	923.59	Joback Calculated Property
Cp,gas	808.45	J/mol×K	955.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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