Chemical Properties of Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl octyl ester

InChI

InChI=1S/C20H26Cl2O5/c1-4-5-6-7-8-9-10-26-18(24)20(2,3)19(25)27-17-14(13-23)11-15(21)12-16(17)22/h11-13H,4-10H2,1-3H3

InChI Key

IXMHHWOGUWIWNY-UHFFFAOYSA-N

Formula

C20H26Cl2O5

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

417.32

• 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°	52.44	kJ/mol	Joback Calculated Property
logPoct/wat	5.641		Crippen Calculated Property
McVol	309.830	ml/mol	McGowan Calculated Property
Inp	[2629.00; 2629.00]
Inp	2629.00		NIST
Inp	2629.00		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	[443.09; 948.51]	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			5.72270e+01
Coefficient B			1.65076e+00
Coefficient C			-9.10680e-04
Coefficient D			1.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	443.09	J/mol×K	273.00	Calculated Property
Cp,gas	533.94	J/mol×K	353.78	Calculated Property
Cp,gas	615.01	J/mol×K	434.56	Calculated Property
Cp,gas	686.76	J/mol×K	515.33	Calculated Property
Cp,gas	749.68	J/mol×K	596.11	Calculated Property
Cp,gas	804.25	J/mol×K	676.89	Calculated Property
Cp,gas	850.93	J/mol×K	757.67	Calculated Property
Cp,gas	890.22	J/mol×K	838.44	Calculated Property
Cp,gas	922.58	J/mol×K	919.22	Calculated Property
Cp,gas	948.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003183; 0.0000480]	Pa×s	[568.06; 806.96]	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			-1.44401e+01
Coefficient B			3.62853e+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.			568.06
Temperature range, max.			806.96
η	0.0003183	Pa×s	568.06	Calculated Property
η	0.0002393	Pa×s	594.60	Calculated Property
η	0.0001844	Pa×s	621.15	Calculated Property
η	0.0001451	Pa×s	647.69	Calculated Property
η	0.0001164	Pa×s	674.24	Calculated Property
η	0.0000949	Pa×s	700.78	Calculated Property
η	0.0000786	Pa×s	727.32	Calculated Property
η	0.0000659	Pa×s	753.87	Calculated Property
η	0.0000560	Pa×s	780.41	Calculated Property
η	0.0000480	Pa×s	806.96	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl octyl 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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