Chemical Properties of Diethylmalonic acid, nonyl pentafluorobenzyl ester

InChI

InChI=1S/C23H31F5O4/c1-4-7-8-9-10-11-12-13-31-21(29)23(5-2,6-3)22(30)32-14-15-16(24)18(26)20(28)19(27)17(15)25/h4-14H2,1-3H3

InChI Key

LBAYCALHRRYLFY-UHFFFAOYSA-N

Formula

C23H31F5O4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

466.48

• 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°	-1232.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1817.77	kJ/mol	Joback Calculated Property
ΔfusH°	60.98	kJ/mol	Joback Calculated Property
ΔvapH°	85.31	kJ/mol	Joback Calculated Property
log10WS	-8.19		Crippen Calculated Property
logPoct/wat	6.526		Crippen Calculated Property
McVol	334.900	ml/mol	McGowan Calculated Property
Pc	927.24	kPa	Joback Calculated Property
Inp	[2258.00; 2258.00]
Inp	2258.00		NIST
Inp	2258.00		NIST
Tboil	922.92	K	Joback Calculated Property
Tc	1130.80	K	Joback Calculated Property
Tfus	587.68	K	Joback Calculated Property
Vc	1.343	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1091.17; 1166.16]	J/mol×K	[922.92; 1130.80]
Cp,gas	1091.17	J/mol×K	922.92	Joback Calculated Property
Cp,gas	1106.72	J/mol×K	957.57	Joback Calculated Property
Cp,gas	1121.01	J/mol×K	992.21	Joback Calculated Property
Cp,gas	1134.06	J/mol×K	1026.86	Joback Calculated Property
Cp,gas	1145.92	J/mol×K	1061.51	Joback Calculated Property
Cp,gas	1156.61	J/mol×K	1096.15	Joback Calculated Property
Cp,gas	1166.16	J/mol×K	1130.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, nonyl pentafluorobenzyl ester.

Sources

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

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