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

InChI

InChI=1S/C19H26F2O4/c1-4-7-8-11-24-17(22)19(5-2,6-3)18(23)25-13-14-9-10-15(20)16(21)12-14/h9-10,12H,4-8,11,13H2,1-3H3

InChI Key

QUEALYZFQNRQHR-UHFFFAOYSA-N

Formula

C19H26F2O4

SMILES

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

Molecular Weight¹

356.40

• 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°	-652.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1112.47	kJ/mol	Joback Calculated Property
ΔfusH°	42.55	kJ/mol	Joback Calculated Property
ΔvapH°	76.87	kJ/mol	Joback Calculated Property
log10WS	-5.52		Crippen Calculated Property
logPoct/wat	4.548		Crippen Calculated Property
McVol	273.230	ml/mol	McGowan Calculated Property
Pc	1351.64	kPa	Joback Calculated Property
Inp	[2057.00; 2057.00]
Inp	2057.00		NIST
Inp	2057.00		NIST
Tboil	818.65	K	Joback Calculated Property
Tc	1015.16	K	Joback Calculated Property
Tfus	503.27	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[834.57; 910.23]	J/mol×K	[818.65; 1015.16]
Cp,gas	834.57	J/mol×K	818.65	Joback Calculated Property
Cp,gas	849.65	J/mol×K	851.40	Joback Calculated Property
Cp,gas	863.69	J/mol×K	884.15	Joback Calculated Property
Cp,gas	876.75	J/mol×K	916.91	Joback Calculated Property
Cp,gas	888.83	J/mol×K	949.66	Joback Calculated Property
Cp,gas	899.98	J/mol×K	982.41	Joback Calculated Property
Cp,gas	910.23	J/mol×K	1015.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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