Chemical Properties of Diethylmalonic acid, 2-fluorophenyl propyl ester

InChI

InChI=1S/C16H21FO4/c1-4-11-20-14(18)16(5-2,6-3)15(19)21-13-10-8-7-9-12(13)17/h7-10H,4-6,11H2,1-3H3

InChI Key

FDOZITGEMDIAIE-UHFFFAOYSA-N

Formula

C16H21FO4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1ccccc1F

Molecular Weight¹

296.33

• 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°	-473.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-842.97	kJ/mol	Joback Calculated Property
ΔfusH°	32.09	kJ/mol	Joback Calculated Property
ΔvapH°	70.35	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.491		Crippen Calculated Property
McVol	229.190	ml/mol	McGowan Calculated Property
Pc	1777.34	kPa	Joback Calculated Property
Inp	[1810.00; 1810.00]
Inp	1810.00		NIST
Inp	1810.00		NIST
Tboil	745.76	K	Joback Calculated Property
Tc	948.92	K	Joback Calculated Property
Tfus	456.35	K	Joback Calculated Property
Vc	0.878	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[658.33; 733.07]	J/mol×K	[745.76; 948.92]
Cp,gas	658.33	J/mol×K	745.76	Joback Calculated Property
Cp,gas	673.19	J/mol×K	779.62	Joback Calculated Property
Cp,gas	687.05	J/mol×K	813.48	Joback Calculated Property
Cp,gas	699.93	J/mol×K	847.34	Joback Calculated Property
Cp,gas	711.88	J/mol×K	881.20	Joback Calculated Property
Cp,gas	722.92	J/mol×K	915.06	Joback Calculated Property
Cp,gas	733.07	J/mol×K	948.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-fluorophenyl propyl ester.

Sources

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

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