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

• 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°	-426.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-691.78	kJ/mol	Joback Calculated Property
ΔfusH°	31.14	kJ/mol	Joback Calculated Property
ΔvapH°	70.69	kJ/mol	Joback Calculated Property
log10WS	-4.58		Crippen 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	734.54	K	Joback Calculated Property
Tc	954.51	K	Joback Calculated Property
Tfus	472.67	K	Joback Calculated Property
Vc	0.790	m3/kmol	Joback 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

• 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.