Chemical Properties of Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester

InChI

InChI=1S/C28H39F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-38-24(36)22-16-18-23(19-17-22)25(37)39-21-26(29,30)27(31,32)28(33,34)35/h16-19H,2-15,20-21H2,1H3

InChI Key

WSCWVIYPVCHHRX-UHFFFAOYSA-N

Formula

C28H39F7O4

SMILES

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

Molecular Weight¹

572.60

• 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°	-1535.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-2284.81	kJ/mol	Joback Calculated Property
ΔfusH°	66.82	kJ/mol	Joback Calculated Property
ΔvapH°	89.56	kJ/mol	Joback Calculated Property
log10WS	-10.78		Crippen Calculated Property
logPoct/wat	9.314		Crippen Calculated Property
McVol	408.890	ml/mol	McGowan Calculated Property
Pc	708.84	kPa	Joback Calculated Property
Inp	[2992.00; 2992.00]
Inp	2992.00		NIST
Inp	2992.00		NIST
Tboil	1009.48	K	Joback Calculated Property
Tc	1252.09	K	Joback Calculated Property
Tfus	599.97	K	Joback Calculated Property
Vc	1.637	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1415.79; 1509.59]	J/mol×K	[1009.48; 1252.09]
Cp,gas	1415.79	J/mol×K	1009.48	Joback Calculated Property
Cp,gas	1434.24	J/mol×K	1049.91	Joback Calculated Property
Cp,gas	1451.33	J/mol×K	1090.35	Joback Calculated Property
Cp,gas	1467.23	J/mol×K	1130.78	Joback Calculated Property
Cp,gas	1482.12	J/mol×K	1171.22	Joback Calculated Property
Cp,gas	1496.18	J/mol×K	1211.65	Joback Calculated Property
Cp,gas	1509.59	J/mol×K	1252.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl hexadecyl ester.

Sources

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

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