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

InChI

InChI=1S/C29H49F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39-24(37)26(5-2,6-3)25(38)40-23-27(30,31)28(32,33)29(34,35)36/h4-23H2,1-3H3

InChI Key

ONVSTCBOQNRXCW-UHFFFAOYSA-N

Formula

C29H49F7O4

SMILES

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

Molecular Weight¹

594.69

• 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°	-1626.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-2539.26	kJ/mol	Joback Calculated Property
ΔfusH°	68.34	kJ/mol	Joback Calculated Property
ΔvapH°	87.56	kJ/mol	Joback Calculated Property
log10WS	-10.74		Crippen Calculated Property
logPoct/wat	9.974		Crippen Calculated Property
McVol	446.740	ml/mol	McGowan Calculated Property
Pc	580.92	kPa	Joback Calculated Property
Inp	[2673.00; 2673.00]
Inp	2673.00		NIST
Inp	2673.00		NIST
Tboil	997.47	K	Joback Calculated Property
Tc	1256.68	K	Joback Calculated Property
Tfus	574.72	K	Joback Calculated Property
Vc	1.790	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1584.43; 1708.05]	J/mol×K	[997.47; 1256.68]
Cp,gas	1584.43	J/mol×K	997.47	Joback Calculated Property
Cp,gas	1608.21	J/mol×K	1040.67	Joback Calculated Property
Cp,gas	1630.37	J/mol×K	1083.87	Joback Calculated Property
Cp,gas	1651.18	J/mol×K	1127.08	Joback Calculated Property
Cp,gas	1670.89	J/mol×K	1170.28	Joback Calculated Property
Cp,gas	1689.76	J/mol×K	1213.48	Joback Calculated Property
Cp,gas	1708.05	J/mol×K	1256.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester.

Sources

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

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