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

InChI

InChI=1S/C24H36F2O4/c1-4-7-8-9-10-11-12-13-16-29-22(27)24(5-2,6-3)23(28)30-18-19-14-15-20(25)21(26)17-19/h14-15,17H,4-13,16,18H2,1-3H3

InChI Key

DBOKVGLVQBSDOR-UHFFFAOYSA-N

Formula

C24H36F2O4

SMILES

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

Molecular Weight¹

426.54

• 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	1.0302		Relay (1.0) Calculated Property
ΔfG°	-610.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1242.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.50	kJ/mol	Joback Calculated Property
ΔvapH°	111.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-6.75		Relay (1.0) Calculated Property
logPoct/wat	6.498		Crippen Calculated Property
McVol	343.680	ml/mol	McGowan Calculated Property
Pc	976.56	kPa	Joback Calculated Property
Inp	[2544.00; 2544.00]
Inp	2544.00		NIST
Inp	2544.00		NIST
Tboil	642.38	K	Relay (1.0) Calculated Property
Tc	844.04	K	Relay (1.0) Calculated Property
Tfus	293.25	K	Relay (1.0) Calculated Property
Vc	1.256	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1133.01; 1213.84]	J/mol×K	[933.05; 1142.39]
Cp,gas	1133.01	J/mol×K	933.05	Joback Calculated Property
Cp,gas	1149.52	J/mol×K	967.94	Joback Calculated Property
Cp,gas	1164.74	J/mol×K	1002.83	Joback Calculated Property
Cp,gas	1178.73	J/mol×K	1037.72	Joback Calculated Property
Cp,gas	1191.54	J/mol×K	1072.61	Joback Calculated Property
Cp,gas	1203.23	J/mol×K	1107.50	Joback Calculated Property
Cp,gas	1213.84	J/mol×K	1142.39	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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