Chemical Properties of Diethylmalonic acid, decyl 2,4-dichlorophenyl ester

InChI

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

InChI Key

WDTBLTBHUHLKSB-UHFFFAOYSA-N

Formula

C23H34Cl2O4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)cc1Cl

Molecular Weight¹

445.42

• 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).
• 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).
• 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°	58.31	kJ/mol	Joback Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-7.16		Relay (1.0) Calculated Property
logPoct/wat	7.389		Crippen Calculated Property
McVol	350.530	ml/mol	McGowan Calculated Property
Inp	[2785.00; 2785.00]
Inp	2785.00		NIST
Inp	2785.00		NIST
Tboil	651.64	K	Relay (1.0) Calculated Property
Tfus	312.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[1096.15; 1163.46]	J/mol×K	[950.55; 1166.13]
Cp,gas	1096.15	J/mol×K	950.55	Joback Calculated Property
Cp,gas	1110.49	J/mol×K	986.48	Joback Calculated Property
Cp,gas	1123.50	J/mol×K	1022.41	Joback Calculated Property
Cp,gas	1135.25	J/mol×K	1058.34	Joback Calculated Property
Cp,gas	1145.78	J/mol×K	1094.27	Joback Calculated Property
Cp,gas	1155.17	J/mol×K	1130.20	Joback Calculated Property
Cp,gas	1163.46	J/mol×K	1166.13	Joback Calculated Property
η	[0.0000150; 0.0002788]	Pa×s	[547.35; 950.55]
η	0.0002788	Pa×s	547.35	Joback Calculated Property
η	0.0001313	Pa×s	614.55	Joback Calculated Property
η	0.0000717	Pa×s	681.75	Joback Calculated Property
η	0.0000437	Pa×s	748.95	Joback Calculated Property
η	0.0000289	Pa×s	816.15	Joback Calculated Property
η	0.0000203	Pa×s	883.35	Joback Calculated Property
η	0.0000150	Pa×s	950.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 2,4-dichlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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