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

• 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	[2607.00; 2607.00]
Inp	2607.00		NIST
Inp	2607.00		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 Terephthalic acid, ethyl 4-(trifluoromethyl)benzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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