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

InChI

InChI=1S/C16H22F8O4/c1-2-3-6-9-27-11(25)7-4-5-8-12(26)28-10-14(19,20)16(23,24)15(21,22)13(17)18/h13H,2-10H2,1H3

InChI Key

XKVYIVSCEXZTFA-UHFFFAOYSA-N

Formula

C16H22F8O4

SMILES

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

Molecular Weight¹

430.33

• 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°	-1936.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-2463.58	kJ/mol	Joback Calculated Property
ΔfusH°	41.64	kJ/mol	Joback Calculated Property
ΔvapH°	58.71	kJ/mol	Joback Calculated Property
log10WS	-5.50		Crippen Calculated Property
logPoct/wat	4.994		Crippen Calculated Property
McVol	265.340	ml/mol	McGowan Calculated Property
Pc	1143.66	kPa	Joback Calculated Property
Inp	[1764.00; 1764.00]
Inp	1764.00		NIST
Inp	1764.00		NIST
Tboil	702.09	K	Joback Calculated Property
Tc	863.81	K	Joback Calculated Property
Tfus	411.38	K	Joback Calculated Property
Vc	1.085	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[802.93; 876.84]	J/mol×K	[702.09; 863.81]
Cp,gas	802.93	J/mol×K	702.09	Joback Calculated Property
Cp,gas	817.15	J/mol×K	729.04	Joback Calculated Property
Cp,gas	830.55	J/mol×K	756.00	Joback Calculated Property
Cp,gas	843.19	J/mol×K	782.95	Joback Calculated Property
Cp,gas	855.09	J/mol×K	809.90	Joback Calculated Property
Cp,gas	866.30	J/mol×K	836.85	Joback Calculated Property
Cp,gas	876.84	J/mol×K	863.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester.

Sources

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

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