Chemical Properties of Terephthalic acid, ethyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C18H15F3O5/c1-2-24-16(22)13-5-7-14(8-6-13)17(23)25-11-12-3-9-15(10-4-12)26-18(19,20)21/h3-10H,2,11H2,1H3

InChI Key

RZPYWUZNBONJMY-UHFFFAOYSA-N

Formula

C18H15F3O5

SMILES

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

Molecular Weight¹

368.30

• 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	0.8649		Relay (1.0) Calculated Property
ΔfusH°	41.43	kJ/mol	Joback Calculated Property
ΔvapH°	99.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-5.36		Relay (1.0) Calculated Property
logPoct/wat	4.119		Crippen Calculated Property
McVol	243.020	ml/mol	McGowan Calculated Property
Pc	1683.79	kPa	Joback Calculated Property
Inp	[2361.00; 2361.00]
Inp	2361.00		NIST
Inp	2361.00		NIST
Tboil	643.21	K	Relay (1.0) Calculated Property
Tc	833.48	K	Relay (1.0) Calculated Property
Tfus	291.85	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	[709.36; 765.71]	J/mol×K	[808.20; 1019.37]
Cp,gas	709.36	J/mol×K	808.20	Joback Calculated Property
Cp,gas	721.69	J/mol×K	843.39	Joback Calculated Property
Cp,gas	732.80	J/mol×K	878.59	Joback Calculated Property
Cp,gas	742.72	J/mol×K	913.78	Joback Calculated Property
Cp,gas	751.49	J/mol×K	948.98	Joback Calculated Property
Cp,gas	759.15	J/mol×K	984.17	Joback Calculated Property
Cp,gas	765.71	J/mol×K	1019.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, ethyl 4-trifluoromethoxybenzyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.