Chemical Properties of Diethylmalonic acid, 2,3-dichlorophenyl octyl ester

InChI

InChI=1S/C21H30Cl2O4/c1-4-7-8-9-10-11-15-26-19(24)21(5-2,6-3)20(25)27-17-14-12-13-16(22)18(17)23/h12-14H,4-11,15H2,1-3H3

InChI Key

SPCNDDUQNXXDNZ-UHFFFAOYSA-N

Formula

C21H30Cl2O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

417.37

• 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	0.9470		Relay (1.0) Calculated Property
ΔfG°	-269.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-883.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.96	kJ/mol	Joback Calculated Property
ΔvapH°	111.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-6.65		Relay (1.0) Calculated Property
logPoct/wat	6.609		Crippen Calculated Property
McVol	322.350	ml/mol	McGowan Calculated Property
Pc	1192.35	kPa	Joback Calculated Property
Inp	[2618.00; 2618.00]
Inp	2618.00		NIST
Inp	2618.00		NIST
Tboil	644.79	K	Relay (1.0) Calculated Property
Tc	889.07	K	Relay (1.0) Calculated Property
Tfus	318.53	K	Relay (1.0) Calculated Property
Vc	1.160	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[988.86; 1056.16]	J/mol×K	[940.73; 1157.76]
Cp,gas	988.86	J/mol×K	940.73	Joback Calculated Property
Cp,gas	1002.86	J/mol×K	976.90	Joback Calculated Property
Cp,gas	1015.68	J/mol×K	1013.07	Joback Calculated Property
Cp,gas	1027.37	J/mol×K	1049.25	Joback Calculated Property
Cp,gas	1037.98	J/mol×K	1085.42	Joback Calculated Property
Cp,gas	1047.56	J/mol×K	1121.59	Joback Calculated Property
Cp,gas	1056.16	J/mol×K	1157.76	Joback Calculated Property
η	[0.0000271; 0.0002679]	Pa×s	[584.47; 940.73]
η	0.0002679	Pa×s	584.47	Joback Calculated Property
η	0.0001533	Pa×s	643.85	Joback Calculated Property
η	0.0000964	Pa×s	703.22	Joback Calculated Property
η	0.0000651	Pa×s	762.60	Joback Calculated Property
η	0.0000466	Pa×s	821.98	Joback Calculated Property
η	0.0000349	Pa×s	881.35	Joback Calculated Property
η	0.0000271	Pa×s	940.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dichlorophenyl octyl ester.

Sources

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

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