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

InChI

InChI=1S/C25H38F2O4/c1-4-7-8-9-10-11-12-13-14-17-30-23(28)25(5-2,6-3)24(29)31-19-20-15-16-21(26)22(27)18-20/h15-16,18H,4-14,17,19H2,1-3H3

InChI Key

YCGQUGOAGWHWSB-UHFFFAOYSA-N

Formula

C25H38F2O4

SMILES

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

Molecular Weight¹

440.56

• 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°	-601.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1236.31	kJ/mol	Joback Calculated Property
ΔfusH°	58.09	kJ/mol	Joback Calculated Property
ΔvapH°	90.23	kJ/mol	Joback Calculated Property
log10WS	-8.03		Crippen Calculated Property
logPoct/wat	6.888		Crippen Calculated Property
McVol	357.770	ml/mol	McGowan Calculated Property
Pc	920.50	kPa	Joback Calculated Property
Inp	[2644.00; 2644.00]
Inp	2644.00		NIST
Inp	2644.00		NIST
Tboil	955.93	K	Joback Calculated Property
Tc	1170.52	K	Joback Calculated Property
Tfus	570.89	K	Joback Calculated Property
Vc	1.401	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1194.57; 1276.49]	J/mol×K	[955.93; 1170.52]
Cp,gas	1194.57	J/mol×K	955.93	Joback Calculated Property
Cp,gas	1211.43	J/mol×K	991.69	Joback Calculated Property
Cp,gas	1226.92	J/mol×K	1027.46	Joback Calculated Property
Cp,gas	1241.11	J/mol×K	1063.22	Joback Calculated Property
Cp,gas	1254.07	J/mol×K	1098.99	Joback Calculated Property
Cp,gas	1265.84	J/mol×K	1134.75	Joback Calculated Property
Cp,gas	1276.49	J/mol×K	1170.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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