Chemical Properties of Dimethylmalonic acid, monochloride, phenyl ester

InChI

InChI=1S/C11H11ClO3/c1-11(2,9(12)13)10(14)15-8-6-4-3-5-7-8/h3-7H,1-2H3

InChI Key

DWONEIVVVSPZEN-UHFFFAOYSA-N

Formula

C11H11ClO3

SMILES

CC(C)(C(=O)Cl)C(=O)Oc1ccccc1

Molecular Weight¹

226.66

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[210.78; 475.17]	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			-1.98300e+01
Coefficient B			1.01974e+00
Coefficient C			-6.84700e-04
Coefficient D			1.59960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.78	J/mol×K	273.00	Calculated Property
Cp,gas	262.32	J/mol×K	353.78	Calculated Property
Cp,gas	307.13	J/mol×K	434.56	Calculated Property
Cp,gas	345.73	J/mol×K	515.33	Calculated Property
Cp,gas	378.63	J/mol×K	596.11	Calculated Property
Cp,gas	406.32	J/mol×K	676.89	Calculated Property
Cp,gas	429.31	J/mol×K	757.67	Calculated Property
Cp,gas	448.11	J/mol×K	838.44	Calculated Property
Cp,gas	463.23	J/mol×K	919.22	Calculated Property
Cp,gas	475.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025222; 0.0001867]	Pa×s	[364.75; 599.11]	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			-1.26376e+01
Coefficient B			2.42739e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			364.75
Temperature range, max.			599.11
η	0.0025222	Pa×s	364.75	Calculated Property
η	0.0016188	Pa×s	390.79	Calculated Property
η	0.0010982	Pa×s	416.83	Calculated Property
η	0.0007798	Pa×s	442.87	Calculated Property
η	0.0005751	Pa×s	468.91	Calculated Property
η	0.0004380	Pa×s	494.95	Calculated Property
η	0.0003428	Pa×s	520.99	Calculated Property
η	0.0002746	Pa×s	547.03	Calculated Property
η	0.0002245	Pa×s	573.07	Calculated Property
η	0.0001867	Pa×s	599.11	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, phenyl 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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