Chemical Properties of Dimethylmalonic acid, di(2-chloro-6-fluorophenyl) ester

InChI

InChI=1S/C17H12Cl2F2O4/c1-17(2,15(22)24-13-9(18)5-3-7-11(13)20)16(23)25-14-10(19)6-4-8-12(14)21/h3-8H,1-2H3

InChI Key

SPBYYSCSYSLWKH-UHFFFAOYSA-N

Formula

C17H12Cl2F2O4

SMILES

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

Molecular Weight¹

389.18

• 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°	-599.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-889.08	kJ/mol	Joback Calculated Property
ΔfusH°	39.03	kJ/mol	Joback Calculated Property
ΔvapH°	84.79	kJ/mol	Joback Calculated Property
log10WS	-5.96		Crippen Calculated Property
logPoct/wat	4.809		Crippen Calculated Property
McVol	245.770	ml/mol	McGowan Calculated Property
Pc	1888.72	kPa	Joback Calculated Property
Inp	[2462.00; 2462.00]
Inp	2462.00		NIST
Inp	2462.00		NIST
Tboil	884.39	K	Joback Calculated Property
Tc	1117.68	K	Joback Calculated Property
Tfus	592.03	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[667.87; 712.15]	J/mol×K	[884.39; 1117.68]
Cp,gas	667.87	J/mol×K	884.39	Joback Calculated Property
Cp,gas	677.84	J/mol×K	923.27	Joback Calculated Property
Cp,gas	686.72	J/mol×K	962.15	Joback Calculated Property
Cp,gas	694.55	J/mol×K	1001.04	Joback Calculated Property
Cp,gas	701.37	J/mol×K	1039.92	Joback Calculated Property
Cp,gas	707.22	J/mol×K	1078.80	Joback Calculated Property
Cp,gas	712.15	J/mol×K	1117.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(2-chloro-6-fluorophenyl) ester.

Sources

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

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