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

InChI

InChI=1S/C24H30F8O4/c1-2-3-4-5-6-7-8-9-10-14-35-19(33)17-12-11-13-18(15-17)20(34)36-16-22(27,28)24(31,32)23(29,30)21(25)26/h11-13,15,21H,2-10,14,16H2,1H3

InChI Key

BNTLORXXZITVCW-UHFFFAOYSA-N

Formula

C24H30F8O4

SMILES

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

Molecular Weight¹

534.48

• 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°	-1766.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-2403.64	kJ/mol	Joback Calculated Property
ΔfusH°	56.02	kJ/mol	Joback Calculated Property
ΔvapH°	79.46	kJ/mol	Joback Calculated Property
log10WS	-9.07		Crippen Calculated Property
logPoct/wat	7.702		Crippen Calculated Property
McVol	354.300	ml/mol	McGowan Calculated Property
Pc	860.49	kPa	Joback Calculated Property
Inp	[2572.00; 2572.00]
Inp	2572.00		NIST
Inp	2572.00		NIST
Tboil	916.79	K	Joback Calculated Property
Tc	1124.17	K	Joback Calculated Property
Tfus	540.48	K	Joback Calculated Property
Vc	1.425	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1176.94; 1255.30]	J/mol×K	[916.79; 1124.17]
Cp,gas	1176.94	J/mol×K	916.79	Joback Calculated Property
Cp,gas	1192.49	J/mol×K	951.35	Joback Calculated Property
Cp,gas	1206.92	J/mol×K	985.92	Joback Calculated Property
Cp,gas	1220.31	J/mol×K	1020.48	Joback Calculated Property
Cp,gas	1232.77	J/mol×K	1055.04	Joback Calculated Property
Cp,gas	1244.40	J/mol×K	1089.61	Joback Calculated Property
Cp,gas	1255.30	J/mol×K	1124.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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