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

InChI

InChI=1S/C22H31F3O4/c1-3-4-5-6-7-8-9-10-11-16-28-20(26)18-12-14-19(15-13-18)21(27)29-17(2)22(23,24)25/h12-15,17H,3-11,16H2,1-2H3

InChI Key

UJBDVUOGXCCWGZ-UHFFFAOYSA-N

Formula

C22H31F3O4

SMILES

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

Molecular Weight¹

416.47

• 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°	-814.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1364.31	kJ/mol	Joback Calculated Property
ΔfusH°	50.26	kJ/mol	Joback Calculated Property
ΔvapH°	81.68	kJ/mol	Joback Calculated Property
log10WS	-7.75		Crippen Calculated Property
logPoct/wat	6.482		Crippen Calculated Property
McVol	317.270	ml/mol	McGowan Calculated Property
Pc	1089.22	kPa	Joback Calculated Property
Inp	[1457.00; 1457.00]
Inp	1457.00		NIST
Inp	1457.00		NIST
Tboil	881.14	K	Joback Calculated Property
Tc	1080.66	K	Joback Calculated Property
Tfus	510.15	K	Joback Calculated Property
Vc	1.244	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1019.93; 1098.05]	J/mol×K	[881.14; 1080.66]
Cp,gas	1019.93	J/mol×K	881.14	Joback Calculated Property
Cp,gas	1035.67	J/mol×K	914.39	Joback Calculated Property
Cp,gas	1050.27	J/mol×K	947.65	Joback Calculated Property
Cp,gas	1063.76	J/mol×K	980.90	Joback Calculated Property
Cp,gas	1076.18	J/mol×K	1014.16	Joback Calculated Property
Cp,gas	1087.60	J/mol×K	1047.41	Joback Calculated Property
Cp,gas	1098.05	J/mol×K	1080.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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