Chemical Properties of Terephthalic acid, ethyl 4-(trifluoromethyl)benzyl ester

InChI

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

InChI Key

XLWXLFZQZVFFLV-UHFFFAOYSA-N

Formula

C18H15F3O4

SMILES

CCOC(=O)c1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1

Molecular Weight¹

352.30

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.8066		Relay (1.0) Calculated Property
ΔfusH°	37.08	kJ/mol	Joback Calculated Property
ΔvapH°	98.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-5.16		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	[2607.00; 2607.00]
Inp	2607.00		NIST
Inp	2607.00		NIST
Tboil	638.33	K	Relay (1.0) Calculated Property
Tc	854.54	K	Relay (1.0) Calculated Property
Tfus	333.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, 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	[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 Terephthalic acid, ethyl 4-(trifluoromethyl)benzyl 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.