Chemical Properties of Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester

InChI

InChI=1S/C26H40F2O4/c1-4-7-8-9-10-11-12-13-14-15-18-31-24(29)26(5-2,6-3)25(30)32-20-21-16-17-22(27)23(28)19-21/h16-17,19H,4-15,18,20H2,1-3H3

InChI Key

WXPAJBBHOZKPHJ-UHFFFAOYSA-N

Formula

C26H40F2O4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

454.59

• 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°	-593.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1256.95	kJ/mol	Joback Calculated Property
ΔfusH°	60.68	kJ/mol	Joback Calculated Property
ΔvapH°	92.45	kJ/mol	Joback Calculated Property
log10WS	-8.45		Crippen Calculated Property
logPoct/wat	7.279		Crippen Calculated Property
McVol	371.860	ml/mol	McGowan Calculated Property
Pc	869.14	kPa	Joback Calculated Property
Inp	[2746.00; 2746.00]
Inp	2746.00		NIST
Inp	2746.00		NIST
Tboil	978.81	K	Joback Calculated Property
Tc	1199.70	K	Joback Calculated Property
Tfus	582.16	K	Joback Calculated Property
Vc	1.456	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1256.63; 1339.70]	J/mol×K	[978.81; 1199.70]
Cp,gas	1256.63	J/mol×K	978.81	Joback Calculated Property
Cp,gas	1273.87	J/mol×K	1015.62	Joback Calculated Property
Cp,gas	1289.66	J/mol×K	1052.44	Joback Calculated Property
Cp,gas	1304.07	J/mol×K	1089.25	Joback Calculated Property
Cp,gas	1317.16	J/mol×K	1126.07	Joback Calculated Property
Cp,gas	1329.02	J/mol×K	1162.88	Joback Calculated Property
Cp,gas	1339.70	J/mol×K	1199.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3,4-difluorobenzyl dodecyl ester.

Sources

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

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