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

InChI

InChI=1S/C23H33Cl3O4/c1-4-7-8-9-10-11-12-13-14-29-21(27)23(5-2,6-3)22(28)30-19-16-17(24)15-18(25)20(19)26/h15-16H,4-14H2,1-3H3

InChI Key

LBEBQVNIQDAMIW-UHFFFAOYSA-N

Formula

C23H33Cl3O4

SMILES

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

Molecular Weight¹

479.87

• 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°	62.11	kJ/mol	Joback Calculated Property
logPoct/wat	8.043		Crippen Calculated Property
McVol	362.770	ml/mol	McGowan Calculated Property
Inp	[2913.00; 2913.00]
Inp	2913.00		NIST
Inp	2913.00		NIST
Tboil	666.78	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.22; 1120.77]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.59910e+01
Coefficient B			1.96806e+00
Coefficient C			-1.10128e-03
Coefficient D			1.98000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	515.22	J/mol×K	273.00	Calculated Property
Cp,gas	623.18	J/mol×K	353.78	Calculated Property
Cp,gas	719.51	J/mol×K	434.56	Calculated Property
Cp,gas	804.83	J/mol×K	515.33	Calculated Property
Cp,gas	879.78	J/mol×K	596.11	Calculated Property
Cp,gas	944.97	J/mol×K	676.89	Calculated Property
Cp,gas	1001.04	J/mol×K	757.67	Calculated Property
Cp,gas	1048.62	J/mol×K	838.44	Calculated Property
Cp,gas	1088.32	J/mol×K	919.22	Calculated Property
Cp,gas	1120.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001837; 0.0000242]	Pa×s	[589.79; 851.58]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.51975e+01
Coefficient B			3.88970e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			589.79
Temperature range, max.			851.58
η	0.0001837	Pa×s	589.79	Calculated Property
η	0.0001347	Pa×s	618.88	Calculated Property
η	0.0001016	Pa×s	647.97	Calculated Property
η	0.0000785	Pa×s	677.05	Calculated Property
η	0.0000620	Pa×s	706.14	Calculated Property
η	0.0000498	Pa×s	735.23	Calculated Property
η	0.0000407	Pa×s	764.32	Calculated Property
η	0.0000338	Pa×s	793.40	Calculated Property
η	0.0000284	Pa×s	822.49	Calculated Property
η	0.0000242	Pa×s	851.58	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 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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