Chemical Properties of Diethylmalonic acid, decyl 2,6-dichlorophenyl ester

InChI

InChI=1S/C23H34Cl2O4/c1-4-7-8-9-10-11-12-13-17-28-21(26)23(5-2,6-3)22(27)29-20-18(24)15-14-16-19(20)25/h14-16H,4-13,17H2,1-3H3

InChI Key

JGNJAFXDVOXROC-UHFFFAOYSA-N

Formula

C23H34Cl2O4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

445.42

• 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	1.0221		Relay (1.0) Calculated Property
ΔfG°	-252.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-906.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.14	kJ/mol	Joback Calculated Property
ΔvapH°	118.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-7.07		Relay (1.0) Calculated Property
logPoct/wat	7.389		Crippen Calculated Property
McVol	350.530	ml/mol	McGowan Calculated Property
Pc	1048.69	kPa	Joback Calculated Property
Inp	[2791.00; 2791.00]
Inp	2791.00		NIST
Inp	2791.00		NIST
Tboil	634.82	K	Relay (1.0) Calculated Property
Tc	894.75	K	Relay (1.0) Calculated Property
Tfus	328.22	K	Relay (1.0) Calculated Property
Vc	1.268	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1108.95; 1177.65]	J/mol×K	[986.49; 1208.86]
Cp,gas	1108.95	J/mol×K	986.49	Joback Calculated Property
Cp,gas	1123.37	J/mol×K	1023.55	Joback Calculated Property
Cp,gas	1136.52	J/mol×K	1060.61	Joback Calculated Property
Cp,gas	1148.46	J/mol×K	1097.67	Joback Calculated Property
Cp,gas	1159.26	J/mol×K	1134.74	Joback Calculated Property
Cp,gas	1168.97	J/mol×K	1171.80	Joback Calculated Property
Cp,gas	1177.65	J/mol×K	1208.86	Joback Calculated Property
η	[0.0000197; 0.0002092]	Pa×s	[607.01; 986.49]
η	0.0002092	Pa×s	607.01	Joback Calculated Property
η	0.0001172	Pa×s	670.26	Joback Calculated Property
η	0.0000726	Pa×s	733.50	Joback Calculated Property
η	0.0000485	Pa×s	796.75	Joback Calculated Property
η	0.0000344	Pa×s	860.00	Joback Calculated Property
η	0.0000255	Pa×s	923.24	Joback Calculated Property
η	0.0000197	Pa×s	986.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 2,6-dichlorophenyl ester.

Sources

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

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