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

InChI

InChI=1S/C16H21ClO3/c1-3-16(4-2,14(17)18)15(19)20-12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3

InChI Key

AZTXEHHGYZXHJY-UHFFFAOYSA-N

Formula

C16H21ClO3

SMILES

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

Molecular Weight¹

296.79

• 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	[316.85; 733.12]	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			-2.43750e+01
Coefficient B			1.49474e+00
Coefficient C			-9.56700e-04
Coefficient D			2.19460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.85	J/mol×K	273.00	Calculated Property
Cp,gas	394.41	J/mol×K	353.78	Calculated Property
Cp,gas	462.52	J/mol×K	434.56	Calculated Property
Cp,gas	521.88	J/mol×K	515.33	Calculated Property
Cp,gas	573.18	J/mol×K	596.11	Calculated Property
Cp,gas	617.12	J/mol×K	676.89	Calculated Property
Cp,gas	654.39	J/mol×K	757.67	Calculated Property
Cp,gas	685.69	J/mol×K	838.44	Calculated Property
Cp,gas	711.70	J/mol×K	919.22	Calculated Property
Cp,gas	733.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015330; 0.0001220]	Pa×s	[421.10; 666.03]	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			-1.33630e+01
Coefficient B			2.89819e+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.			421.10
Temperature range, max.			666.03
η	0.0015330	Pa×s	421.10	Calculated Property
η	0.0010095	Pa×s	448.31	Calculated Property
η	0.0006973	Pa×s	475.53	Calculated Property
η	0.0005013	Pa×s	502.74	Calculated Property
η	0.0003729	Pa×s	529.96	Calculated Property
η	0.0002855	Pa×s	557.17	Calculated Property
η	0.0002241	Pa×s	584.39	Calculated Property
η	0.0001797	Pa×s	611.60	Calculated Property
η	0.0001468	Pa×s	638.81	Calculated Property
η	0.0001220	Pa×s	666.03	Calculated Property

Similar Compounds

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

Sources

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

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