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

InChI

InChI=1S/C27H40Cl2O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-33-25(31)27(5-2,6-3)26(32)34-24-21(20-30)18-22(28)19-23(24)29/h18-20H,4-17H2,1-3H3

InChI Key

YBXPEPIFHUCPMQ-UHFFFAOYSA-N

Formula

C27H40Cl2O5

SMILES

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

Molecular Weight¹

515.51

• 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°	70.57	kJ/mol	Joback Calculated Property
logPoct/wat	8.372		Crippen Calculated Property
McVol	408.460	ml/mol	McGowan Calculated Property
Inp	[3296.00; 3296.00]
Inp	3296.00		NIST
Inp	3296.00		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	[591.59; 1309.64]	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			5.08640e+01
Coefficient B			2.31576e+00
Coefficient C			-1.29148e-03
Coefficient D			2.34500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	591.59	J/mol×K	273.00	Calculated Property
Cp,gas	718.87	J/mol×K	353.78	Calculated Property
Cp,gas	832.55	J/mol×K	434.56	Calculated Property
Cp,gas	933.37	J/mol×K	515.33	Calculated Property
Cp,gas	1022.06	J/mol×K	596.11	Calculated Property
Cp,gas	1099.37	J/mol×K	676.89	Calculated Property
Cp,gas	1166.05	J/mol×K	757.67	Calculated Property
Cp,gas	1222.82	J/mol×K	838.44	Calculated Property
Cp,gas	1270.44	J/mol×K	919.22	Calculated Property
Cp,gas	1309.64	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001241; 0.0000155]	Pa×s	[646.95; 943.15]	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			-1.56218e+01
Coefficient B			4.28765e+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.			646.95
Temperature range, max.			943.15
η	0.0001241	Pa×s	646.95	Calculated Property
η	0.0000900	Pa×s	679.86	Calculated Property
η	0.0000673	Pa×s	712.77	Calculated Property
η	0.0000516	Pa×s	745.68	Calculated Property
η	0.0000405	Pa×s	778.59	Calculated Property
η	0.0000324	Pa×s	811.50	Calculated Property
η	0.0000263	Pa×s	844.42	Calculated Property
η	0.0000218	Pa×s	877.33	Calculated Property
η	0.0000182	Pa×s	910.24	Calculated Property
η	0.0000155	Pa×s	943.15	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,4-dichloro-6-formylphenyl tridecyl 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.