Chemical Properties of Adipic acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C31H52F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-42-26(40)22-19-20-23-27(41)43-25-29(34,35)31(38,39)30(36,37)28(32)33/h28H,2-25H2,1H3

InChI Key

JZGFGLJCQWOTIO-UHFFFAOYSA-N

Formula

C31H52F8O4

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

640.73

• 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°	-1810.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-2773.18	kJ/mol	Joback Calculated Property
ΔfusH°	80.50	kJ/mol	Joback Calculated Property
ΔvapH°	92.10	kJ/mol	Joback Calculated Property
log10WS	-11.78		Crippen Calculated Property
logPoct/wat	10.846		Crippen Calculated Property
McVol	476.690	ml/mol	McGowan Calculated Property
Pc	517.23	kPa	Joback Calculated Property
Inp	[3177.00; 3177.00]
Inp	3177.00		NIST
Inp	3177.00		NIST
Tboil	1045.29	K	Joback Calculated Property
Tc	1360.41	K	Joback Calculated Property
Tfus	580.43	K	Joback Calculated Property
Vc	1.925	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1721.59; 1861.61]	J/mol×K	[1045.29; 1360.41]
Cp,gas	1721.59	J/mol×K	1045.29	Joback Calculated Property
Cp,gas	1749.56	J/mol×K	1097.81	Joback Calculated Property
Cp,gas	1775.11	J/mol×K	1150.33	Joback Calculated Property
Cp,gas	1798.67	J/mol×K	1202.85	Joback Calculated Property
Cp,gas	1820.65	J/mol×K	1255.37	Joback Calculated Property
Cp,gas	1841.49	J/mol×K	1307.89	Joback Calculated Property
Cp,gas	1861.61	J/mol×K	1360.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, eicosyl 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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