Chemical Properties of Phthalic acid, propyl 2-trifluoromethylbenzyl ester

InChI

InChI=1S/C19H17F3O4/c1-2-11-25-17(23)14-8-4-5-9-15(14)18(24)26-12-13-7-3-6-10-16(13)19(20,21)22/h3-10H,2,11-12H2,1H3

InChI Key

QZVQIUSCCXEFNB-UHFFFAOYSA-N

Formula

C19H17F3O4

SMILES

CCCOC(=O)c1ccccc1C(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

366.33

Other Names

• Phthalic acid, propyl 2-trifluorobenzyl ester

• 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).
• 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
ΔfG°	-734.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1072.05	kJ/mol	Joback Calculated Property
ΔfusH°	39.67	kJ/mol	Joback Calculated Property
ΔvapH°	78.33	kJ/mol	Joback Calculated Property
log10WS	-6.01		Crippen Calculated Property
logPoct/wat	4.629		Crippen Calculated Property
McVol	251.240	ml/mol	McGowan Calculated Property
Pc	1687.95	kPa	Joback Calculated Property
Inp	[2211.00; 2211.00]
Inp	2211.00		NIST
Inp	2211.00		NIST
Tboil	844.60	K	Joback Calculated Property
Tc	1059.19	K	Joback Calculated Property
Tfus	530.28	K	Joback Calculated Property
Vc	0.975	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[746.86; 807.26]	J/mol×K	[844.60; 1059.19]
Cp,gas	746.86	J/mol×K	844.60	Joback Calculated Property
Cp,gas	759.53	J/mol×K	880.37	Joback Calculated Property
Cp,gas	771.09	J/mol×K	916.13	Joback Calculated Property
Cp,gas	781.59	J/mol×K	951.90	Joback Calculated Property
Cp,gas	791.09	J/mol×K	987.66	Joback Calculated Property
Cp,gas	799.63	J/mol×K	1023.43	Joback Calculated Property
Cp,gas	807.26	J/mol×K	1059.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, propyl 2-trifluoromethylbenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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