Chemical Properties of Diethylmalonic acid, 3-chlorobenzyl dodecyl ester

InChI

InChI=1S/C26H41ClO4/c1-4-7-8-9-10-11-12-13-14-15-19-30-24(28)26(5-2,6-3)25(29)31-21-22-17-16-18-23(27)20-22/h16-18,20H,4-15,19,21H2,1-3H3

InChI Key

KDGAGAFSOJIEHT-UHFFFAOYSA-N

Formula

C26H41ClO4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Cl)c1

Molecular Weight¹

453.06

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	62.27	kJ/mol	Joback Calculated Property
log10WS	-7.28		Relay (1.0) Calculated Property
logPoct/wat	7.654		Crippen Calculated Property
McVol	380.560	ml/mol	McGowan Calculated Property
Pc	862.01	kPa	Joback Calculated Property
Inp	[2948.00; 2948.00]
Inp	2948.00		NIST
Inp	2948.00		NIST
Tboil	675.71	K	Relay (1.0) Calculated Property
Tfus	286.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1254.57; 1331.62]	J/mol×K	[976.78; 1195.85]
Cp,gas	1254.57	J/mol×K	976.78	Joback Calculated Property
Cp,gas	1270.83	J/mol×K	1013.29	Joback Calculated Property
Cp,gas	1285.61	J/mol×K	1049.80	Joback Calculated Property
Cp,gas	1299.00	J/mol×K	1086.32	Joback Calculated Property
Cp,gas	1311.08	J/mol×K	1122.83	Joback Calculated Property
Cp,gas	1321.93	J/mol×K	1159.34	Joback Calculated Property
Cp,gas	1331.62	J/mol×K	1195.85	Joback Calculated Property
η	[0.0000109; 0.0002878]	Pa×s	[538.72; 976.78]
η	0.0002878	Pa×s	538.72	Joback Calculated Property
η	0.0001205	Pa×s	611.73	Joback Calculated Property
η	0.0000607	Pa×s	684.74	Joback Calculated Property
η	0.0000349	Pa×s	757.75	Joback Calculated Property
η	0.0000221	Pa×s	830.76	Joback Calculated Property
η	0.0000151	Pa×s	903.77	Joback Calculated Property
η	0.0000109	Pa×s	976.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 3-chlorobenzyl dodecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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