Chemical Properties of Terephthalic acid, heptyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C18H23F3O4/c1-3-4-5-6-7-12-24-16(22)14-8-10-15(11-9-14)17(23)25-13(2)18(19,20)21/h8-11,13H,3-7,12H2,1-2H3

InChI Key

BVFIXDOJCZDXIU-UHFFFAOYSA-N

Formula

C18H23F3O4

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OC(C)C(F)(F)F)cc1

Molecular Weight¹

360.37

• 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°	-848.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1281.75	kJ/mol	Joback Calculated Property
ΔfusH°	39.90	kJ/mol	Joback Calculated Property
ΔvapH°	72.78	kJ/mol	Joback Calculated Property
log10WS	-6.08		Crippen Calculated Property
logPoct/wat	4.921		Crippen Calculated Property
McVol	260.910	ml/mol	McGowan Calculated Property
Pc	1428.30	kPa	Joback Calculated Property
Inp	[2239.00; 2239.00]
Inp	2239.00		NIST
Inp	2239.00		NIST
Tboil	789.62	K	Joback Calculated Property
Tc	982.21	K	Joback Calculated Property
Tfus	465.07	K	Joback Calculated Property
Vc	1.020	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[786.08; 859.48]	J/mol×K	[789.62; 982.21]
Cp,gas	786.08	J/mol×K	789.62	Joback Calculated Property
Cp,gas	800.67	J/mol×K	821.72	Joback Calculated Property
Cp,gas	814.28	J/mol×K	853.82	Joback Calculated Property
Cp,gas	826.93	J/mol×K	885.91	Joback Calculated Property
Cp,gas	838.66	J/mol×K	918.01	Joback Calculated Property
Cp,gas	849.50	J/mol×K	950.11	Joback Calculated Property
Cp,gas	859.48	J/mol×K	982.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, heptyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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