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

• 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°	-743.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1051.41	kJ/mol	Joback Calculated Property
ΔfusH°	37.08	kJ/mol	Joback Calculated Property
ΔvapH°	76.10	kJ/mol	Joback Calculated Property
log10WS	-5.59		Crippen 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	821.72	K	Joback Calculated Property
Tc	1037.81	K	Joback Calculated Property
Tfus	519.01	K	Joback Calculated Property
Vc	0.918	m3/kmol	Joback 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

• 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.