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

InChI

InChI=1S/C23H32Cl2O5/c1-4-7-8-9-10-11-12-13-29-21(27)23(5-2,6-3)22(28)30-20-17(16-26)14-18(24)15-19(20)25/h14-16H,4-13H2,1-3H3

InChI Key

AXTIEIAQPMBBPJ-UHFFFAOYSA-N

Formula

C23H32Cl2O5

SMILES

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

Molecular Weight¹

459.40

• 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	1.0630		Relay (1.0) Calculated Property
ΔfG°	-362.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1006.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.04	kJ/mol	Joback Calculated Property
ΔvapH°	118.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-6.86		Relay (1.0) Calculated Property
logPoct/wat	6.811		Crippen Calculated Property
McVol	352.100	ml/mol	McGowan Calculated Property
Pc	1089.94	kPa	Joback Calculated Property
Inp	[2886.00; 2886.00]
Inp	2886.00		NIST
Inp	2886.00		NIST
Tboil	657.94	K	Relay (1.0) Calculated Property
Tc	931.56	K	Relay (1.0) Calculated Property
Tfus	321.57	K	Relay (1.0) Calculated Property
Vc	1.261	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1116.42; 1172.27]	J/mol×K	[1040.13; 1273.42]
Cp,gas	1116.42	J/mol×K	1040.13	Joback Calculated Property
Cp,gas	1128.86	J/mol×K	1079.01	Joback Calculated Property
Cp,gas	1139.98	J/mol×K	1117.89	Joback Calculated Property
Cp,gas	1149.81	J/mol×K	1156.77	Joback Calculated Property
Cp,gas	1158.43	J/mol×K	1195.66	Joback Calculated Property
Cp,gas	1165.90	J/mol×K	1234.54	Joback Calculated Property
Cp,gas	1172.27	J/mol×K	1273.42	Joback Calculated Property
η	[0.0000212; 0.0001780]	Pa×s	[661.53; 1040.13]
η	0.0001780	Pa×s	661.53	Joback Calculated Property
η	0.0001070	Pa×s	724.63	Joback Calculated Property
η	0.0000698	Pa×s	787.73	Joback Calculated Property
η	0.0000485	Pa×s	850.83	Joback Calculated Property
η	0.0000354	Pa×s	913.93	Joback Calculated Property
η	0.0000269	Pa×s	977.03	Joback Calculated Property
η	0.0000212	Pa×s	1040.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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