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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7854		Relay (1.0) Calculated Property
ΔfH°gas	-1167.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.24	kJ/mol	Joback Calculated Property
ΔvapH°	93.64	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	1707.53	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	856.06	K	Relay (1.0) Calculated Property
Tfus	298.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.07; 743.34]	J/mol×K	[785.78; 997.99]
Cp,gas	683.07	J/mol×K	785.78	Joback Calculated Property
Cp,gas	695.93	J/mol×K	821.15	Joback Calculated Property
Cp,gas	707.60	J/mol×K	856.52	Joback Calculated Property
Cp,gas	718.13	J/mol×K	891.89	Joback Calculated Property
Cp,gas	727.57	J/mol×K	927.26	Joback Calculated Property
Cp,gas	735.95	J/mol×K	962.62	Joback Calculated Property
Cp,gas	743.34	J/mol×K	997.99	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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