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

InChI

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

InChI Key

TYCVVWURQPREGP-UHFFFAOYSA-N

Formula

C17H21F3O4

SMILES

CCCc1ccccc1OC(=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	0.8235		Relay (1.0) Calculated Property
ΔfG°	-856.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1428.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.31	kJ/mol	Joback Calculated Property
ΔvapH°	83.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-4.25		Relay (1.0) Calculated Property
logPoct/wat	4.209		Crippen Calculated Property
McVol	246.820	ml/mol	McGowan Calculated Property
Pc	1537.87	kPa	Joback Calculated Property
Inp	[1845.00; 1845.00]
Inp	1845.00		NIST
Inp	1845.00		NIST
Tboil	588.55	K	Relay (1.0) Calculated Property
Tc	760.20	K	Relay (1.0) Calculated Property
Tfus	293.92	K	Relay (1.0) Calculated Property
Vc	0.902	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[729.74; 801.78]	J/mol×K	[766.74; 959.29]
Cp,gas	729.74	J/mol×K	766.74	Joback Calculated Property
Cp,gas	744.04	J/mol×K	798.83	Joback Calculated Property
Cp,gas	757.38	J/mol×K	830.92	Joback Calculated Property
Cp,gas	769.80	J/mol×K	863.02	Joback Calculated Property
Cp,gas	781.31	J/mol×K	895.11	Joback Calculated Property
Cp,gas	791.96	J/mol×K	927.20	Joback Calculated Property
Cp,gas	801.78	J/mol×K	959.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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