Chemical Properties of Diethylmalonic acid, 2,4-dichloro-6-formylphenyl dodecyl ester

InChI

InChI=1S/C26H38Cl2O5/c1-4-7-8-9-10-11-12-13-14-15-16-32-24(30)26(5-2,6-3)25(31)33-23-20(19-29)17-21(27)18-22(23)28/h17-19H,4-16H2,1-3H3

InChI Key

JQGOSOMUUOQLOX-UHFFFAOYSA-N

Formula

C26H38Cl2O5

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

501.49

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	67.98	kJ/mol	Joback Calculated Property
logPoct/wat	7.982		Crippen Calculated Property
McVol	394.370	ml/mol	McGowan Calculated Property
Inp	[3199.00; 3199.00]
Inp	3199.00		NIST
Inp	3199.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[570.37; 1258.05]	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			5.17730e+01
Coefficient B			2.22076e+00
Coefficient C			-1.23708e-03
Coefficient D			2.22600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	570.37	J/mol×K	273.00	Calculated Property
Cp,gas	692.45	J/mol×K	353.78	Calculated Property
Cp,gas	801.47	J/mol×K	434.56	Calculated Property
Cp,gas	898.14	J/mol×K	515.33	Calculated Property
Cp,gas	983.15	J/mol×K	596.11	Calculated Property
Cp,gas	1057.21	J/mol×K	676.89	Calculated Property
Cp,gas	1121.03	J/mol×K	757.67	Calculated Property
Cp,gas	1175.31	J/mol×K	838.44	Calculated Property
Cp,gas	1220.75	J/mol×K	919.22	Calculated Property
Cp,gas	1258.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001429; 0.0000185]	Pa×s	[635.68; 921.30]	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			-1.54504e+01
Coefficient B			4.19349e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			635.68
Temperature range, max.			921.30
η	0.0001429	Pa×s	635.68	Calculated Property
η	0.0001044	Pa×s	667.42	Calculated Property
η	0.0000785	Pa×s	699.15	Calculated Property
η	0.0000605	Pa×s	730.89	Calculated Property
η	0.0000476	Pa×s	762.62	Calculated Property
η	0.0000383	Pa×s	794.36	Calculated Property
η	0.0000312	Pa×s	826.09	Calculated Property
η	0.0000259	Pa×s	857.83	Calculated Property
η	0.0000217	Pa×s	889.56	Calculated Property
η	0.0000185	Pa×s	921.30	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloro-6-formylphenyl dodecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.