Chemical Properties of Diethylmalonic acid, monochloride, 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C13H13Cl2FO3/c1-3-13(4-2,11(15)17)12(18)19-10-8(14)6-5-7-9(10)16/h5-7H,3-4H2,1-2H3

InChI Key

VFEWYRDECGUHDX-UHFFFAOYSA-N

Formula

C13H13Cl2FO3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

307.14

• 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	0.6021		Relay (1.0) Calculated Property
ΔfG°	-426.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-680.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.14	kJ/mol	Joback Calculated Property
ΔvapH°	79.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-4.46		Relay (1.0) Calculated Property
logPoct/wat	3.956		Crippen Calculated Property
McVol	205.530	ml/mol	McGowan Calculated Property
Pc	2151.31	kPa	Joback Calculated Property
Inp	[1825.00; 1825.00]
Inp	1825.00		NIST
Inp	1825.00		NIST
Tboil	542.95	K	Relay (1.0) Calculated Property
Tc	803.49	K	Relay (1.0) Calculated Property
Tfus	343.86	K	Relay (1.0) Calculated Property
Vc	0.703	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.00; 578.51]	J/mol×K	[734.54; 954.51]
Cp,gas	521.00	J/mol×K	734.54	Joback Calculated Property
Cp,gas	532.68	J/mol×K	771.20	Joback Calculated Property
Cp,gas	543.47	J/mol×K	807.86	Joback Calculated Property
Cp,gas	553.40	J/mol×K	844.53	Joback Calculated Property
Cp,gas	562.53	J/mol×K	881.19	Joback Calculated Property
Cp,gas	570.88	J/mol×K	917.85	Joback Calculated Property
Cp,gas	578.51	J/mol×K	954.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2-chloro-6-fluorophenyl ester.

Sources

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

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