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

InChI

InChI=1S/C31H50F2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-29(34)31(5-2,6-3)30(35)37-25-26-21-22-27(32)28(33)24-26/h21-22,24H,4-20,23,25H2,1-3H3

InChI Key

YIDHDUDPCVPBHQ-UHFFFAOYSA-N

Formula

C31H50F2O4

SMILES

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

Molecular Weight¹

524.72

• 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°	-551.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1360.15	kJ/mol	Joback Calculated Property
ΔfusH°	73.63	kJ/mol	Joback Calculated Property
ΔvapH°	103.58	kJ/mol	Joback Calculated Property
log10WS	-10.54		Crippen Calculated Property
logPoct/wat	9.229		Crippen Calculated Property
McVol	442.310	ml/mol	McGowan Calculated Property
Pc	667.01	kPa	Joback Calculated Property
Inp	[3254.00; 3254.00]
Inp	3254.00		NIST
Inp	3254.00		NIST
Tboil	1093.21	K	Joback Calculated Property
Tc	1364.46	K	Joback Calculated Property
Tfus	638.51	K	Joback Calculated Property
Vc	1.736	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1572.93; 1663.27]	J/mol×K	[1093.21; 1364.46]
Cp,gas	1572.93	J/mol×K	1093.21	Joback Calculated Property
Cp,gas	1592.75	J/mol×K	1138.42	Joback Calculated Property
Cp,gas	1610.46	J/mol×K	1183.63	Joback Calculated Property
Cp,gas	1626.20	J/mol×K	1228.83	Joback Calculated Property
Cp,gas	1640.14	J/mol×K	1274.04	Joback Calculated Property
Cp,gas	1652.45	J/mol×K	1319.25	Joback Calculated Property
Cp,gas	1663.27	J/mol×K	1364.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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