Chemical Properties of Diethylmalonic acid, 3-fluorophenyl propyl ester

InChI

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

InChI Key

RPLZZJQQHCYGLT-UHFFFAOYSA-N

Formula

C16H21FO4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(F)c1

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	[1778.00; 1778.00]
Inp	1778.00		NIST
Inp	1778.00		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, 3-fluorophenyl propyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.