Chemical Properties of Dimethylmalonic acid, monochloride, 2-methylphenyl ester

InChI

InChI=1S/C12H13ClO3/c1-8-6-4-5-7-9(8)16-11(15)12(2,3)10(13)14/h4-7H,1-3H3

InChI Key

OPAZIZANYHYINM-UHFFFAOYSA-N

Formula

C12H13ClO3

SMILES

Cc1ccccc1OC(=O)C(C)(C)C(=O)Cl

Molecular Weight¹

240.68

• 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).
• IE : Ionization energy (eV).
• 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

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, 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	[234.55; 523.72]	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			-6.44000e+00
Coefficient B			1.05526e+00
Coefficient C			-6.72060e-04
Coefficient D			1.46960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.55	J/mol×K	273.00	Calculated Property
Cp,gas	289.28	J/mol×K	353.78	Calculated Property
Cp,gas	337.28	J/mol×K	434.56	Calculated Property
Cp,gas	379.01	J/mol×K	515.33	Calculated Property
Cp,gas	414.93	J/mol×K	596.11	Calculated Property
Cp,gas	445.51	J/mol×K	676.89	Calculated Property
Cp,gas	471.21	J/mol×K	757.67	Calculated Property
Cp,gas	492.51	J/mol×K	838.44	Calculated Property
Cp,gas	509.85	J/mol×K	919.22	Calculated Property
Cp,gas	523.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017916; 0.0001711]	Pa×s	[388.54; 616.11]	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			-1.26825e+01
Coefficient B			2.47029e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			388.54
Temperature range, max.			616.11
η	0.0017916	Pa×s	388.54	Calculated Property
η	0.0012149	Pa×s	413.83	Calculated Property
η	0.0008615	Pa×s	439.11	Calculated Property
η	0.0006342	Pa×s	464.40	Calculated Property
η	0.0004819	Pa×s	489.68	Calculated Property
η	0.0003762	Pa×s	514.97	Calculated Property
η	0.0003005	Pa×s	540.25	Calculated Property
η	0.0002449	Pa×s	565.54	Calculated Property
η	0.0002032	Pa×s	590.82	Calculated Property
η	0.0001711	Pa×s	616.11	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, 2-methylphenyl 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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