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

InChI

InChI=1S/C30H50F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-41-25(39)27(5-2,6-3)26(40)42-23-28(33,34)30(37,38)29(35,36)24(31)32/h24H,4-23H2,1-3H3

InChI Key

MKRGPRYTUDXMAW-UHFFFAOYSA-N

Formula

C30H50F8O4

SMILES

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

Molecular Weight¹

626.70

• 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	1.3104		Relay (... Calculated Property
ΔfG°	-1815.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-2812.29	kJ/mol	Relay (... Calculated Property
ΔfusH°	70.49	kJ/mol	Joback Calculated Property
ΔvapH°	133.40	kJ/mol	Relay (... Calculated Property
IE	10.20	eV	Relay (... Calculated Property
log10WS	-9.53		Relay (... Calculated Property
logPoct/wat	10.312		Crippen Calculated Property
McVol	462.600	ml/mol	McGowan Calculated Property
Pc	545.39	kPa	Joback Calculated Property
Inp	[2775.00; 2775.00]
Inp	2775.00		NIST
Inp	2775.00		NIST
Tboil	672.99	K	Relay (... Calculated Property
Tc	814.86	K	Relay (... Calculated Property
Tfus	324.62	K	Relay (... Calculated Property
Vc	1.740	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1656.09; 1787.91]	J/mol×K	[1019.18; 1298.94]
Cp,gas	1656.09	J/mol×K	1019.18	Joback Calculated Property
Cp,gas	1681.42	J/mol×K	1065.81	Joback Calculated Property
Cp,gas	1704.96	J/mol×K	1112.43	Joback Calculated Property
Cp,gas	1727.05	J/mol×K	1159.06	Joback Calculated Property
Cp,gas	1748.01	J/mol×K	1205.69	Joback Calculated Property
Cp,gas	1768.19	J/mol×K	1252.32	Joback Calculated Property
Cp,gas	1787.91	J/mol×K	1298.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, octadecyl 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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