Chemical Properties of Diethylmalonic acid, di(4-chloro-2-methylphenyl) ester

InChI

InChI=1S/C21H22Cl2O4/c1-5-21(6-2,19(24)26-17-9-7-15(22)11-13(17)3)20(25)27-18-10-8-16(23)12-14(18)4/h7-12H,5-6H2,1-4H3

InChI Key

SODKJMQSWWNUEH-UHFFFAOYSA-N

Formula

C21H22Cl2O4

SMILES

CCC(CC)(C(=O)Oc1ccc(Cl)cc1C)C(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

409.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-176.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-579.42	kJ/mol	Joback Calculated Property
ΔfusH°	43.23	kJ/mol	Joback Calculated Property
ΔvapH°	95.33	kJ/mol	Joback Calculated Property
log10WS	-7.08		Crippen Calculated Property
logPoct/wat	5.928		Crippen Calculated Property
McVol	298.590	ml/mol	McGowan Calculated Property
Pc	1485.00	kPa	Joback Calculated Property
Inp	[2791.00; 2791.00]
Inp	2791.00		NIST
Inp	2791.00		NIST
Tboil	977.37	K	Joback Calculated Property
Tc	1216.62	K	Joback Calculated Property
Tfus	635.93	K	Joback Calculated Property
Vc	1.131	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[879.91; 930.65]	J/mol×K	[977.37; 1216.62]
Cp,gas	879.91	J/mol×K	977.37	Joback Calculated Property
Cp,gas	891.37	J/mol×K	1017.24	Joback Calculated Property
Cp,gas	901.54	J/mol×K	1057.12	Joback Calculated Property
Cp,gas	910.50	J/mol×K	1096.99	Joback Calculated Property
Cp,gas	918.30	J/mol×K	1136.87	Joback Calculated Property
Cp,gas	925.00	J/mol×K	1176.74	Joback Calculated Property
Cp,gas	930.65	J/mol×K	1216.62	Joback Calculated Property
η	[0.0000291; 0.0001957]	Pa×s	[635.93; 977.37]
η	0.0001957	Pa×s	635.93	Joback Calculated Property
η	0.0001250	Pa×s	692.84	Joback Calculated Property
η	0.0000855	Pa×s	749.74	Joback Calculated Property
η	0.0000617	Pa×s	806.65	Joback Calculated Property
η	0.0000465	Pa×s	863.56	Joback Calculated Property
η	0.0000362	Pa×s	920.46	Joback Calculated Property
η	0.0000291	Pa×s	977.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(4-chloro-2-methylphenyl) ester.

Sources

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

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