Chemical Properties of Diethylmalonic acid, monochloride, 2,3-dimethylphenyl ester

InChI

InChI=1S/C15H19ClO3/c1-5-15(6-2,13(16)17)14(18)19-12-9-7-8-10(3)11(12)4/h7-9H,5-6H2,1-4H3

InChI Key

MCROHUZXPLHPEK-UHFFFAOYSA-N

Formula

C15H19ClO3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1cccc(C)c1C

Molecular Weight¹

282.77

• 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

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	[300.74; 675.45]	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			5.13200e+00
Coefficient B			1.28078e+00
Coefficient C			-7.68220e-04
Coefficient D			1.57760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.74	J/mol×K	273.00	Calculated Property
Cp,gas	369.08	J/mol×K	353.78	Calculated Property
Cp,gas	429.58	J/mol×K	434.56	Calculated Property
Cp,gas	482.74	J/mol×K	515.33	Calculated Property
Cp,gas	529.05	J/mol×K	596.11	Calculated Property
Cp,gas	569.02	J/mol×K	676.89	Calculated Property
Cp,gas	603.15	J/mol×K	757.67	Calculated Property
Cp,gas	631.93	J/mol×K	838.44	Calculated Property
Cp,gas	655.87	J/mol×K	919.22	Calculated Property
Cp,gas	675.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011003; 0.0001321]	Pa×s	[434.87; 660.18]	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			-1.30244e+01
Coefficient B			2.70151e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			434.87
Temperature range, max.			660.18
η	0.0011003	Pa×s	434.87	Calculated Property
η	0.0007846	Pa×s	459.90	Calculated Property
η	0.0005794	Pa×s	484.94	Calculated Property
η	0.0004408	Pa×s	509.97	Calculated Property
η	0.0003440	Pa×s	535.01	Calculated Property
η	0.0002745	Pa×s	560.04	Calculated Property
η	0.0002233	Pa×s	585.08	Calculated Property
η	0.0001848	Pa×s	610.11	Calculated Property
η	0.0001552	Pa×s	635.15	Calculated Property
η	0.0001321	Pa×s	660.18	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2,3-dimethylphenyl 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

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