Chemical Properties of Diethylmalonic acid, butyl 3-phenoxybenzyl ester

InChI

InChI=1S/C24H30O5/c1-4-7-16-27-22(25)24(5-2,6-3)23(26)28-18-19-12-11-15-21(17-19)29-20-13-9-8-10-14-20/h8-15,17H,4-7,16,18H2,1-3H3

InChI Key

PTKIWZIOKWSRLN-UHFFFAOYSA-N

Formula

C24H30O5

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

398.49

• ω : Acentric Factor.
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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	[449.27; 1053.61]	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			-2.05940e+01
Coefficient B			2.01956e+00
Coefficient C			-1.14876e-03
Coefficient D			2.03400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	449.27	J/mol×K	273.00	Calculated Property
Cp,gas	559.11	J/mol×K	353.78	Calculated Property
Cp,gas	656.78	J/mol×K	434.56	Calculated Property
Cp,gas	742.91	J/mol×K	515.33	Calculated Property
Cp,gas	818.16	J/mol×K	596.11	Calculated Property
Cp,gas	883.17	J/mol×K	676.89	Calculated Property
Cp,gas	938.57	J/mol×K	757.67	Calculated Property
Cp,gas	985.02	J/mol×K	838.44	Calculated Property
Cp,gas	1023.15	J/mol×K	919.22	Calculated Property
Cp,gas	1053.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002777; 0.0000252]	Pa×s	[534.91; 816.05]	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			-1.51583e+01
Coefficient B			3.72793e+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.			534.91
Temperature range, max.			816.05
η	0.0002777	Pa×s	534.91	Calculated Property
η	0.0001890	Pa×s	566.15	Calculated Property
η	0.0001340	Pa×s	597.38	Calculated Property
η	0.0000983	Pa×s	628.62	Calculated Property
η	0.0000742	Pa×s	659.86	Calculated Property
η	0.0000575	Pa×s	691.10	Calculated Property
η	0.0000455	Pa×s	722.33	Calculated Property
η	0.0000368	Pa×s	753.57	Calculated Property
η	0.0000302	Pa×s	784.81	Calculated Property
η	0.0000252	Pa×s	816.05	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 3-phenoxybenzyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.