Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-isopropylphenyl ester

InChI

InChI=1S/C17H21F3O4/c1-11(2)13-7-4-5-8-14(13)24-16(22)10-6-9-15(21)23-12(3)17(18,19)20/h4-5,7-8,11-12H,6,9-10H2,1-3H3

InChI Key

JXKGXSZVKSSUSI-UHFFFAOYSA-N

Formula

C17H21F3O4

SMILES

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

Molecular Weight¹

346.34

• 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	0.7867		Relay (1.0) Calculated Property
ΔfG°	-859.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1433.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.79	kJ/mol	Joback Calculated Property
ΔvapH°	83.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	4.380		Crippen Calculated Property
McVol	246.820	ml/mol	McGowan Calculated Property
Pc	1547.57	kPa	Joback Calculated Property
Inp	[1833.00; 1833.00]
Inp	1833.00		NIST
Inp	1833.00		NIST
Tboil	577.24	K	Relay (1.0) Calculated Property
Tc	761.39	K	Relay (1.0) Calculated Property
Tfus	310.68	K	Relay (1.0) Calculated Property
Vc	0.895	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[730.28; 802.92]	J/mol×K	[766.30; 961.13]
Cp,gas	730.28	J/mol×K	766.30	Joback Calculated Property
Cp,gas	744.76	J/mol×K	798.77	Joback Calculated Property
Cp,gas	758.25	J/mol×K	831.24	Joback Calculated Property
Cp,gas	770.78	J/mol×K	863.72	Joback Calculated Property
Cp,gas	782.38	J/mol×K	896.19	Joback Calculated Property
Cp,gas	793.08	J/mol×K	928.66	Joback Calculated Property
Cp,gas	802.92	J/mol×K	961.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-isopropylphenyl ester.

Sources

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

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