Chemical Properties of Diethylmalonic acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C18H26F8O4/c1-4-7-8-9-10-29-13(27)15(5-2,6-3)14(28)30-11-16(21,22)18(25,26)17(23,24)12(19)20/h12H,4-11H2,1-3H3

InChI Key

QJZLXYBPDZMJBW-UHFFFAOYSA-N

Formula

C18H26F8O4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

458.38

• 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°	-1916.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-2513.61	kJ/mol	Joback Calculated Property
ΔfusH°	39.41	kJ/mol	Joback Calculated Property
ΔvapH°	61.87	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	5.630		Crippen Calculated Property
McVol	293.520	ml/mol	McGowan Calculated Property
Pc	1020.73	kPa	Joback Calculated Property
Inp	[1656.00; 1656.00]
Inp	1656.00		NIST
Inp	1656.00		NIST
Tboil	744.62	K	Joback Calculated Property
Tc	914.14	K	Joback Calculated Property
Tfus	436.34	K	Joback Calculated Property
Vc	1.185	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[917.81; 995.94]	J/mol×K	[744.62; 914.14]
Cp,gas	917.81	J/mol×K	744.62	Joback Calculated Property
Cp,gas	932.94	J/mol×K	772.87	Joback Calculated Property
Cp,gas	947.15	J/mol×K	801.13	Joback Calculated Property
Cp,gas	960.50	J/mol×K	829.38	Joback Calculated Property
Cp,gas	973.04	J/mol×K	857.63	Joback Calculated Property
Cp,gas	984.84	J/mol×K	885.89	Joback Calculated Property
Cp,gas	995.94	J/mol×K	914.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexyl 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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