Chemical Properties of Dimethylmalonic acid, 2,3,5-trichlorophenyl undecyl ester

InChI

InChI=1S/C22H31Cl3O4/c1-4-5-6-7-8-9-10-11-12-13-28-20(26)22(2,3)21(27)29-18-15-16(23)14-17(24)19(18)25/h14-15H,4-13H2,1-3H3

InChI Key

YUGPHPBMDNFPSW-UHFFFAOYSA-N

Formula

C22H31Cl3O4

SMILES

CCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

465.84

• 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°	59.52	kJ/mol	Joback Calculated Property
logPoct/wat	7.652		Crippen Calculated Property
McVol	348.680	ml/mol	McGowan Calculated Property
Inp	[2924.00; 2924.00]
Inp	2924.00		NIST
Inp	2924.00		NIST
Tboil	652.14	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	[494.01; 1069.18]	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			5.69000e+01
Coefficient B			1.87306e+00
Coefficient C			-1.04688e-03
Coefficient D			1.86100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	494.01	J/mol×K	273.00	Calculated Property
Cp,gas	596.76	J/mol×K	353.78	Calculated Property
Cp,gas	688.43	J/mol×K	434.56	Calculated Property
Cp,gas	769.60	J/mol×K	515.33	Calculated Property
Cp,gas	840.87	J/mol×K	596.11	Calculated Property
Cp,gas	902.81	J/mol×K	676.89	Calculated Property
Cp,gas	956.03	J/mol×K	757.67	Calculated Property
Cp,gas	1001.10	J/mol×K	838.44	Calculated Property
Cp,gas	1038.62	J/mol×K	919.22	Calculated Property
Cp,gas	1069.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002102; 0.0000283]	Pa×s	[578.52; 833.26]	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			-1.50281e+01
Coefficient B			3.79554e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			578.52
Temperature range, max.			833.26
η	0.0002102	Pa×s	578.52	Calculated Property
η	0.0001548	Pa×s	606.82	Calculated Property
η	0.0001171	Pa×s	635.13	Calculated Property
η	0.0000908	Pa×s	663.43	Calculated Property
η	0.0000718	Pa×s	691.74	Calculated Property
η	0.0000579	Pa×s	720.04	Calculated Property
η	0.0000474	Pa×s	748.35	Calculated Property
η	0.0000394	Pa×s	776.65	Calculated Property
η	0.0000332	Pa×s	804.95	Calculated Property
η	0.0000283	Pa×s	833.26	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,3,5-trichlorophenyl undecyl 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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