Chemical Properties of Terephthalic acid, 2,2,3,3,3-pentafluoropropyl octadecyl ester

InChI

InChI=1S/C29H43F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-37-26(35)24-18-20-25(21-19-24)27(36)38-23-28(30,31)29(32,33)34/h18-21H,2-17,22-23H2,1H3

InChI Key

GBFMQUBDBIDVDO-UHFFFAOYSA-N

Formula

C29H43F5O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCC(F)(F)C(F)(F)F)cc1

Molecular Weight¹

550.64

• 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°	-1140.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1904.48	kJ/mol	Joback Calculated Property
ΔfusH°	70.66	kJ/mol	Joback Calculated Property
ΔvapH°	94.72	kJ/mol	Joback Calculated Property
log10WS	-10.89		Crippen Calculated Property
logPoct/wat	9.459		Crippen Calculated Property
McVol	419.440	ml/mol	McGowan Calculated Property
Pc	699.50	kPa	Joback Calculated Property
Inp	[1814.00; 1814.00]
Inp	1814.00		NIST
Inp	1814.00		NIST
Tboil	1037.05	K	Joback Calculated Property
Tc	1289.34	K	Joback Calculated Property
Tfus	607.64	K	Joback Calculated Property
Vc	1.667	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1465.62; 1559.84]	J/mol×K	[1037.05; 1289.34]
Cp,gas	1465.62	J/mol×K	1037.05	Joback Calculated Property
Cp,gas	1484.81	J/mol×K	1079.10	Joback Calculated Property
Cp,gas	1502.38	J/mol×K	1121.15	Joback Calculated Property
Cp,gas	1518.50	J/mol×K	1163.19	Joback Calculated Property
Cp,gas	1533.34	J/mol×K	1205.24	Joback Calculated Property
Cp,gas	1547.06	J/mol×K	1247.29	Joback Calculated Property
Cp,gas	1559.84	J/mol×K	1289.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2,3,3,3-pentafluoropropyl octadecyl ester.

Sources

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

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