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

InChI

InChI=1S/C24H34Cl2O5/c1-4-7-8-9-10-11-12-13-14-30-22(28)24(5-2,6-3)23(29)31-21-18(17-27)15-19(25)16-20(21)26/h15-17H,4-14H2,1-3H3

InChI Key

ITWLWHQVUHDWPK-UHFFFAOYSA-N

Formula

C24H34Cl2O5

SMILES

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

Molecular Weight¹

473.43

• 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°	62.80	kJ/mol	Joback Calculated Property
logPoct/wat	7.202		Crippen Calculated Property
McVol	366.190	ml/mol	McGowan Calculated Property
Inp	[2999.00; 2999.00]
Inp	2999.00		NIST
Inp	2999.00		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	[527.94; 1154.87]	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			5.35910e+01
Coefficient B			2.03076e+00
Coefficient C			-1.12828e-03
Coefficient D			1.98800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	527.94	J/mol×K	273.00	Calculated Property
Cp,gas	639.62	J/mol×K	353.78	Calculated Property
Cp,gas	739.32	J/mol×K	434.56	Calculated Property
Cp,gas	827.68	J/mol×K	515.33	Calculated Property
Cp,gas	905.33	J/mol×K	596.11	Calculated Property
Cp,gas	972.89	J/mol×K	676.89	Calculated Property
Cp,gas	1031.00	J/mol×K	757.67	Calculated Property
Cp,gas	1080.28	J/mol×K	838.44	Calculated Property
Cp,gas	1121.36	J/mol×K	919.22	Calculated Property
Cp,gas	1154.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001882; 0.0000259]	Pa×s	[613.14; 880.21]	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			-1.51100e+01
Coefficient B			4.00517e+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.			613.14
Temperature range, max.			880.21
η	0.0001882	Pa×s	613.14	Calculated Property
η	0.0001392	Pa×s	642.81	Calculated Property
η	0.0001058	Pa×s	672.49	Calculated Property
η	0.0000822	Pa×s	702.16	Calculated Property
η	0.0000653	Pa×s	731.84	Calculated Property
η	0.0000527	Pa×s	761.51	Calculated Property
η	0.0000433	Pa×s	791.18	Calculated Property
η	0.0000360	Pa×s	820.86	Calculated Property
η	0.0000304	Pa×s	850.53	Calculated Property
η	0.0000259	Pa×s	880.21	Calculated Property

Similar Compounds

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