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

InChI

InChI=1S/C27H42F2O4/c1-4-7-8-9-10-11-12-13-14-15-16-19-32-25(30)27(5-2,6-3)26(31)33-21-22-17-18-23(28)24(29)20-22/h17-18,20H,4-16,19,21H2,1-3H3

InChI Key

ZTTPVNVAIXKJDD-UHFFFAOYSA-N

Formula

C27H42F2O4

SMILES

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

Molecular Weight¹

468.62

• 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°	-585.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1277.59	kJ/mol	Joback Calculated Property
ΔfusH°	63.27	kJ/mol	Joback Calculated Property
ΔvapH°	94.68	kJ/mol	Joback Calculated Property
log10WS	-8.87		Crippen Calculated Property
logPoct/wat	7.669		Crippen Calculated Property
McVol	385.950	ml/mol	McGowan Calculated Property
Pc	821.95	kPa	Joback Calculated Property
Inp	[2848.00; 2848.00]
Inp	2848.00		NIST
Inp	2848.00		NIST
Tboil	1001.69	K	Joback Calculated Property
Tc	1230.01	K	Joback Calculated Property
Tfus	593.43	K	Joback Calculated Property
Vc	1.512	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1319.15; 1403.45]	J/mol×K	[1001.69; 1230.01]
Cp,gas	1319.15	J/mol×K	1001.69	Joback Calculated Property
Cp,gas	1336.80	J/mol×K	1039.74	Joback Calculated Property
Cp,gas	1352.91	J/mol×K	1077.80	Joback Calculated Property
Cp,gas	1367.55	J/mol×K	1115.85	Joback Calculated Property
Cp,gas	1380.80	J/mol×K	1153.90	Joback Calculated Property
Cp,gas	1392.74	J/mol×K	1191.96	Joback Calculated Property
Cp,gas	1403.45	J/mol×K	1230.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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