Chemical Properties of Terephthalic acid, butyl 2,3,5-trifluorobenzyl ester

InChI

InChI=1S/C19H17F3O4/c1-2-3-8-25-18(23)12-4-6-13(7-5-12)19(24)26-11-14-9-15(20)10-16(21)17(14)22/h4-7,9-10H,2-3,8,11H2,1H3

InChI Key

LEIZTULMRHUETO-UHFFFAOYSA-N

Formula

C19H17F3O4

SMILES

CCCCOC(=O)c1ccc(C(=O)OCc2cc(F)cc(F)c2F)cc1

Molecular Weight¹

366.33

• 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°	-756.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-1086.24	kJ/mol	Joback Calculated Property
ΔfusH°	46.31	kJ/mol	Joback Calculated Property
ΔvapH°	80.95	kJ/mol	Joback Calculated Property
log10WS	-6.32		Crippen Calculated Property
logPoct/wat	4.418		Crippen Calculated Property
McVol	251.240	ml/mol	McGowan Calculated Property
Pc	1621.98	kPa	Joback Calculated Property
Inp	[2571.00; 2571.00]
Inp	2571.00		NIST
Inp	2571.00		NIST
Tboil	857.79	K	Joback Calculated Property
Tc	1067.43	K	Joback Calculated Property
Tfus	552.90	K	Joback Calculated Property
Vc	0.986	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[743.00; 801.16]	J/mol×K	[857.79; 1067.43]
Cp,gas	743.00	J/mol×K	857.79	Joback Calculated Property
Cp,gas	755.37	J/mol×K	892.73	Joback Calculated Property
Cp,gas	766.64	J/mol×K	927.67	Joback Calculated Property
Cp,gas	776.85	J/mol×K	962.61	Joback Calculated Property
Cp,gas	785.99	J/mol×K	997.55	Joback Calculated Property
Cp,gas	794.09	J/mol×K	1032.49	Joback Calculated Property
Cp,gas	801.16	J/mol×K	1067.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, butyl 2,3,5-trifluorobenzyl 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.