Chemical Properties of Diethylmalonic acid, 2,4-dichloronaphth-1-yl isobutyl ester

InChI

InChI=1S/C21H24Cl2O4/c1-5-21(6-2,19(24)26-12-13(3)4)20(25)27-18-15-10-8-7-9-14(15)16(22)11-17(18)23/h7-11,13H,5-6,12H2,1-4H3

InChI Key

GVOCHXTVEHZLCI-UHFFFAOYSA-N

Formula

C21H24Cl2O4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c(Cl)cc(Cl)c2ccccc12

Molecular Weight¹

411.32

• ω : Acentric Factor.
• 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).
• 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	0.8375		Relay (... Calculated Property
ΔfG°	-175.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-747.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.07	kJ/mol	Joback Calculated Property
ΔvapH°	112.94	kJ/mol	Relay (... Calculated Property
IE	8.22	eV	Relay (... Calculated Property
log10WS	-6.12		Relay (... Calculated Property
logPoct/wat	6.058		Crippen Calculated Property
McVol	302.890	ml/mol	McGowan Calculated Property
Pc	1415.44	kPa	Joback Calculated Property
Inp	[2744.00; 2744.00]
Inp	2744.00		NIST
Inp	2744.00		NIST
Tboil	666.79	K	Relay (... Calculated Property
Tc	947.38	K	Relay (... Calculated Property
Tfus	379.46	K	Relay (... Calculated Property
Vc	1.074	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[906.21; 967.97]	J/mol×K	[964.25; 1196.11]
Cp,gas	906.21	J/mol×K	964.25	Joback Calculated Property
Cp,gas	918.80	J/mol×K	1002.89	Joback Calculated Property
Cp,gas	930.36	J/mol×K	1041.54	Joback Calculated Property
Cp,gas	940.98	J/mol×K	1080.18	Joback Calculated Property
Cp,gas	950.73	J/mol×K	1118.82	Joback Calculated Property
Cp,gas	959.70	J/mol×K	1157.47	Joback Calculated Property
Cp,gas	967.97	J/mol×K	1196.11	Joback Calculated Property
η	[0.0000520; 0.0003488]	Pa×s	[614.69; 964.25]
η	0.0003488	Pa×s	614.69	Joback Calculated Property
η	0.0002214	Pa×s	672.95	Joback Calculated Property
η	0.0001511	Pa×s	731.21	Joback Calculated Property
η	0.0001091	Pa×s	789.47	Joback Calculated Property
η	0.0000824	Pa×s	847.73	Joback Calculated Property
η	0.0000645	Pa×s	905.99	Joback Calculated Property
η	0.0000520	Pa×s	964.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloronaphth-1-yl isobutyl ester.

Sources

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

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