Chemical Properties of Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester

InChI

InChI=1S/C26H34F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-37-21(35)19-14-13-15-20(17-19)22(36)38-18-24(29,30)26(33,34)25(31,32)23(27)28/h13-15,17,23H,2-12,16,18H2,1H3

InChI Key

CUHIGUXYNMCZLF-UHFFFAOYSA-N

Formula

C26H34F8O4

SMILES

CCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1

Molecular Weight¹

562.53

• 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°	-1749.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-2444.92	kJ/mol	Joback Calculated Property
ΔfusH°	61.20	kJ/mol	Joback Calculated Property
ΔvapH°	83.91	kJ/mol	Joback Calculated Property
log10WS	-9.91		Crippen Calculated Property
logPoct/wat	8.482		Crippen Calculated Property
McVol	382.480	ml/mol	McGowan Calculated Property
Pc	771.18	kPa	Joback Calculated Property
Inp	[2758.00; 2758.00]
Inp	2758.00		NIST
Inp	2758.00		NIST
Tboil	962.55	K	Joback Calculated Property
Tc	1186.30	K	Joback Calculated Property
Tfus	563.02	K	Joback Calculated Property
Vc	1.536	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1298.77; 1383.59]	J/mol×K	[962.55; 1186.30]
Cp,gas	1298.77	J/mol×K	962.55	Joback Calculated Property
Cp,gas	1315.60	J/mol×K	999.84	Joback Calculated Property
Cp,gas	1331.18	J/mol×K	1037.13	Joback Calculated Property
Cp,gas	1345.63	J/mol×K	1074.42	Joback Calculated Property
Cp,gas	1359.09	J/mol×K	1111.72	Joback Calculated Property
Cp,gas	1371.70	J/mol×K	1149.01	Joback Calculated Property
Cp,gas	1383.59	J/mol×K	1186.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester.

Sources

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

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