Chemical Properties of Diethylmalonic acid, monochloride, 4-fluoro-2-methoxyphenyl ester

InChI

InChI=1S/C14H16ClFO4/c1-4-14(5-2,12(15)17)13(18)20-10-7-6-9(16)8-11(10)19-3/h6-8H,4-5H2,1-3H3

InChI Key

XFBDUROPRRDUFD-UHFFFAOYSA-N

Formula

C14H16ClFO4

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1ccc(F)cc1OC

Molecular Weight¹

302.73

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6718		Relay (1.0) Calculated Property
ΔfG°	-511.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-841.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.72	kJ/mol	Joback Calculated Property
ΔvapH°	81.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-4.02		Relay (1.0) Calculated Property
logPoct/wat	3.311		Crippen Calculated Property
McVol	213.250	ml/mol	McGowan Calculated Property
Pc	2007.30	kPa	Joback Calculated Property
Inp	[1853.00; 1853.00]
Inp	1853.00		NIST
Inp	1853.00		NIST
Tboil	572.52	K	Relay (1.0) Calculated Property
Tc	798.09	K	Relay (1.0) Calculated Property
Tfus	349.46	K	Relay (1.0) Calculated Property
Vc	0.738	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.06; 639.05]	J/mol×K	[742.41; 954.26]
Cp,gas	575.06	J/mol×K	742.41	Joback Calculated Property
Cp,gas	587.98	J/mol×K	777.72	Joback Calculated Property
Cp,gas	599.97	J/mol×K	813.03	Joback Calculated Property
Cp,gas	611.04	J/mol×K	848.33	Joback Calculated Property
Cp,gas	621.23	J/mol×K	883.64	Joback Calculated Property
Cp,gas	630.56	J/mol×K	918.95	Joback Calculated Property
Cp,gas	639.05	J/mol×K	954.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 4-fluoro-2-methoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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