Chemical Properties of Diethylmalonic acid, dodecyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C25H37Cl3O4/c1-4-7-8-9-10-11-12-13-14-15-16-31-23(29)25(5-2,6-3)24(30)32-21-18-19(26)17-20(27)22(21)28/h17-18H,4-16H2,1-3H3

InChI Key

ZMIQNJWSFDDUDR-UHFFFAOYSA-N

Formula

C25H37Cl3O4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

507.93

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	67.30	kJ/mol	Joback Calculated Property
logPoct/wat	8.823		Crippen Calculated Property
McVol	390.950	ml/mol	McGowan Calculated Property
Inp	[3118.00; 3118.00]
Inp	3118.00		NIST
Inp	3118.00		NIST
Tboil	680.64	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Ionization energy, Log10 of Water solubility in mol/l 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	[1238.77; 1297.81]	J/mol×K	[1038.72; 1271.97]
Cp,gas	1238.77	J/mol×K	1038.72	Joback Calculated Property
Cp,gas	1252.07	J/mol×K	1077.59	Joback Calculated Property
Cp,gas	1263.89	J/mol×K	1116.47	Joback Calculated Property
Cp,gas	1274.29	J/mol×K	1155.34	Joback Calculated Property
Cp,gas	1283.36	J/mol×K	1194.22	Joback Calculated Property
Cp,gas	1291.17	J/mol×K	1233.09	Joback Calculated Property
Cp,gas	1297.81	J/mol×K	1271.97	Joback Calculated Property
η	[0.0000091; 0.0001393]	Pa×s	[612.33; 1038.72]
η	0.0001393	Pa×s	612.33	Joback Calculated Property
η	0.0000697	Pa×s	683.39	Joback Calculated Property
η	0.0000397	Pa×s	754.46	Joback Calculated Property
η	0.0000249	Pa×s	825.53	Joback Calculated Property
η	0.0000169	Pa×s	896.59	Joback Calculated Property
η	0.0000121	Pa×s	967.65	Joback Calculated Property
η	0.0000091	Pa×s	1038.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 2,3,5-trichlorophenyl 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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