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

InChI

InChI=1S/C20H30F8O4/c1-4-7-8-9-10-11-12-31-15(29)17(5-2,6-3)16(30)32-13-18(23,24)20(27,28)19(25,26)14(21)22/h14H,4-13H2,1-3H3

InChI Key

AIFCCBPVAVCKCN-UHFFFAOYSA-N

Formula

C20H30F8O4

SMILES

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

Molecular Weight¹

486.44

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9447		Relay (... Calculated Property
ΔfG°	-1899.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-2620.10	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.59	kJ/mol	Joback Calculated Property
ΔvapH°	94.00	kJ/mol	Relay (... Calculated Property
IE	10.03	eV	Relay (... Calculated Property
log10WS	-6.93		Relay (... Calculated Property
logPoct/wat	6.411		Crippen Calculated Property
McVol	321.700	ml/mol	McGowan Calculated Property
Pc	906.15	kPa	Joback Calculated Property
Inp	[1829.00; 1829.00]
Inp	1829.00		NIST
Inp	1829.00		NIST
Tboil	587.00	K	Relay (... Calculated Property
Tc	732.27	K	Relay (... Calculated Property
Tfus	298.24	K	Relay (... Calculated Property
Vc	1.208	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1033.99; 1117.02]	J/mol×K	[790.38; 967.76]
Cp,gas	1033.99	J/mol×K	790.38	Joback Calculated Property
Cp,gas	1050.08	J/mol×K	819.94	Joback Calculated Property
Cp,gas	1065.18	J/mol×K	849.51	Joback Calculated Property
Cp,gas	1079.36	J/mol×K	879.07	Joback Calculated Property
Cp,gas	1092.68	J/mol×K	908.63	Joback Calculated Property
Cp,gas	1105.21	J/mol×K	938.19	Joback Calculated Property
Cp,gas	1117.02	J/mol×K	967.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, octyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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