Chemical Properties of Diethylmalonic acid, 2,4-dichloro-6-formylphenyl octyl ester

InChI

InChI=1S/C22H30Cl2O5/c1-4-7-8-9-10-11-12-28-20(26)22(5-2,6-3)21(27)29-19-16(15-25)13-17(23)14-18(19)24/h13-15H,4-12H2,1-3H3

InChI Key

GZSAGXZNKRDPRQ-UHFFFAOYSA-N

Formula

C22H30Cl2O5

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

445.38

• 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	1.0241		Relay (1.0) Calculated Property
ΔfG°	-370.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-984.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.45	kJ/mol	Joback Calculated Property
ΔvapH°	113.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-6.58		Relay (1.0) Calculated Property
logPoct/wat	6.421		Crippen Calculated Property
McVol	338.010	ml/mol	McGowan Calculated Property
Pc	1162.45	kPa	Joback Calculated Property
Inp	[2779.00; 2779.00]
Inp	2779.00		NIST
Inp	2779.00		NIST
Tboil	650.96	K	Relay (1.0) Calculated Property
Tc	924.68	K	Relay (1.0) Calculated Property
Tfus	320.41	K	Relay (1.0) Calculated Property
Vc	1.206	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1056.48; 1111.88]	J/mol×K	[1017.25; 1246.09]
Cp,gas	1056.48	J/mol×K	1017.25	Joback Calculated Property
Cp,gas	1068.72	J/mol×K	1055.39	Joback Calculated Property
Cp,gas	1079.68	J/mol×K	1093.53	Joback Calculated Property
Cp,gas	1089.43	J/mol×K	1131.67	Joback Calculated Property
Cp,gas	1098.01	J/mol×K	1169.81	Joback Calculated Property
Cp,gas	1105.47	J/mol×K	1207.95	Joback Calculated Property
Cp,gas	1111.88	J/mol×K	1246.09	Joback Calculated Property
η	[0.0000248; 0.0002016]	Pa×s	[650.26; 1017.25]
η	0.0002016	Pa×s	650.26	Joback Calculated Property
η	0.0001224	Pa×s	711.42	Joback Calculated Property
η	0.0000804	Pa×s	772.59	Joback Calculated Property
η	0.0000562	Pa×s	833.75	Joback Calculated Property
η	0.0000412	Pa×s	894.92	Joback Calculated Property
η	0.0000315	Pa×s	956.09	Joback Calculated Property
η	0.0000248	Pa×s	1017.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloro-6-formylphenyl octyl ester.

Sources

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

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