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

InChI

InChI=1S/C31H44F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-42-26(40)24-19-18-20-25(22-24)27(41)43-23-29(34,35)31(38,39)30(36,37)28(32)33/h18-20,22,28H,2-17,21,23H2,1H3

InChI Key

HDARURHOIFEKFC-UHFFFAOYSA-N

Formula

C31H44F8O4

SMILES

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

Molecular Weight¹

632.67

• 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°	-1707.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-2548.12	kJ/mol	Joback Calculated Property
ΔfusH°	74.15	kJ/mol	Joback Calculated Property
ΔvapH°	95.04	kJ/mol	Joback Calculated Property
log10WS	-12.00		Crippen Calculated Property
logPoct/wat	10.433		Crippen Calculated Property
McVol	452.930	ml/mol	McGowan Calculated Property
Pc	600.44	kPa	Joback Calculated Property
Inp	[3267.00; 3267.00]
Inp	3267.00		NIST
Inp	3267.00		NIST
Tboil	1076.95	K	Joback Calculated Property
Tc	1365.74	K	Joback Calculated Property
Tfus	619.37	K	Joback Calculated Property
Vc	1.817	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1612.43; 1723.38]	J/mol×K	[1076.95; 1365.74]
Cp,gas	1612.43	J/mol×K	1076.95	Joback Calculated Property
Cp,gas	1634.01	J/mol×K	1125.08	Joback Calculated Property
Cp,gas	1653.92	J/mol×K	1173.21	Joback Calculated Property
Cp,gas	1672.48	J/mol×K	1221.34	Joback Calculated Property
Cp,gas	1690.03	J/mol×K	1269.47	Joback Calculated Property
Cp,gas	1706.88	J/mol×K	1317.61	Joback Calculated Property
Cp,gas	1723.38	J/mol×K	1365.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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