Chemical Properties of Dimethylmalonic acid, monochloride, 3-phenylpropyl ester

InChI

InChI=1S/C14H17ClO3/c1-14(2,12(15)16)13(17)18-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3

InChI Key

BMNDSPKXQWDZTK-UHFFFAOYSA-N

Formula

C14H17ClO3

SMILES

CC(C)(C(=O)Cl)C(=O)OCCCc1ccccc1

Molecular Weight¹

268.74

• 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).
• 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).
• P_c : Critical Pressure (kPa).
• 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 Volume, Enthalpy of formation at standard conditions, 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	[274.42; 629.94]	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			-2.25570e+01
Coefficient B			1.30474e+00
Coefficient C			-8.47900e-04
Coefficient D			1.95660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.42	J/mol×K	273.00	Calculated Property
Cp,gas	341.57	J/mol×K	353.78	Calculated Property
Cp,gas	400.36	J/mol×K	434.56	Calculated Property
Cp,gas	451.42	J/mol×K	515.33	Calculated Property
Cp,gas	495.36	J/mol×K	596.11	Calculated Property
Cp,gas	532.80	J/mol×K	676.89	Calculated Property
Cp,gas	564.36	J/mol×K	757.67	Calculated Property
Cp,gas	590.66	J/mol×K	838.44	Calculated Property
Cp,gas	612.31	J/mol×K	919.22	Calculated Property
Cp,gas	629.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019015; 0.0001478]	Pa×s	[398.56; 638.45]	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			-1.30643e+01
Coefficient B			2.70987e+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.			398.56
Temperature range, max.			638.45
η	0.0019015	Pa×s	398.56	Calculated Property
η	0.0012417	Pa×s	425.21	Calculated Property
η	0.0008526	Pa×s	451.87	Calculated Property
η	0.0006105	Pa×s	478.52	Calculated Property
η	0.0004528	Pa×s	505.18	Calculated Property
η	0.0003461	Pa×s	531.83	Calculated Property
η	0.0002713	Pa×s	558.49	Calculated Property
η	0.0002175	Pa×s	585.14	Calculated Property
η	0.0001778	Pa×s	611.80	Calculated Property
η	0.0001478	Pa×s	638.45	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, 3-phenylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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