Chemical Properties of Phthalic acid, ethyl 2-trifluoromethylbenzyl ester

InChI

InChI=1S/C18H15F3O4/c1-2-24-16(22)13-8-4-5-9-14(13)17(23)25-11-12-7-3-6-10-15(12)18(19,20)21/h3-10H,2,11H2,1H3

InChI Key

FIHWMMHVXCXDQV-UHFFFAOYSA-N

Formula

C18H15F3O4

SMILES

CCOC(=O)c1ccccc1C(=O)OCc1ccccc1C(F)(F)F

Molecular Weight¹

352.30

Other Names

• Phthalic acid, ethyl 2-trifluorobenzyl ester

• 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	0.7854		Relay (1.0) Calculated Property
ΔfG°	-743.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1167.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.08	kJ/mol	Joback Calculated Property
ΔvapH°	93.08	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-4.96		Relay (1.0) Calculated Property
logPoct/wat	4.239		Crippen Calculated Property
McVol	237.150	ml/mol	McGowan Calculated Property
Pc	1829.41	kPa	Joback Calculated Property
Inp	[2114.00; 2114.00]
Inp	2114.00		NIST
Inp	2114.00		NIST
Tboil	634.77	K	Relay (1.0) Calculated Property
Tc	855.23	K	Relay (1.0) Calculated Property
Tfus	299.95	K	Relay (1.0) Calculated Property
Vc	0.869	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.13; 750.41]	J/mol×K	[821.72; 1037.81]
Cp,gas	691.13	J/mol×K	821.72	Joback Calculated Property
Cp,gas	703.58	J/mol×K	857.74	Joback Calculated Property
Cp,gas	714.94	J/mol×K	893.75	Joback Calculated Property
Cp,gas	725.26	J/mol×K	929.77	Joback Calculated Property
Cp,gas	734.58	J/mol×K	965.78	Joback Calculated Property
Cp,gas	742.95	J/mol×K	1001.80	Joback Calculated Property
Cp,gas	750.41	J/mol×K	1037.81	Joback Calculated Property

Similar Compounds

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

Sources

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

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