Chemical Properties of Diethylmalonic acid, 4-biphenyl propyl ester

InChI

InChI=1S/C22H26O4/c1-4-16-25-20(23)22(5-2,6-3)21(24)26-19-14-12-18(13-15-19)17-10-8-7-9-11-17/h7-15H,4-6,16H2,1-3H3

InChI Key

SSSYTYLONYUNGM-UHFFFAOYSA-N

Formula

C22H26O4

SMILES

CCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

354.45

• 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_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, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[391.44; 931.92]	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			-4.42760e+01
Coefficient B			1.89276e+00
Coefficient C			-1.15096e-03
Coefficient D			2.34400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.44	J/mol×K	273.00	Calculated Property
Cp,gas	491.67	J/mol×K	353.78	Calculated Property
Cp,gas	580.12	J/mol×K	434.56	Calculated Property
Cp,gas	657.55	J/mol×K	515.33	Calculated Property
Cp,gas	724.68	J/mol×K	596.11	Calculated Property
Cp,gas	782.26	J/mol×K	676.89	Calculated Property
Cp,gas	831.04	J/mol×K	757.67	Calculated Property
Cp,gas	871.75	J/mol×K	838.44	Calculated Property
Cp,gas	905.13	J/mol×K	919.22	Calculated Property
Cp,gas	931.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005427; 0.0000432]	Pa×s	[490.14; 769.25]	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			-1.44914e+01
Coefficient B			3.41752e+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.			490.14
Temperature range, max.			769.25
η	0.0005427	Pa×s	490.14	Calculated Property
η	0.0003584	Pa×s	521.15	Calculated Property
η	0.0002480	Pa×s	552.17	Calculated Property
η	0.0001784	Pa×s	583.18	Calculated Property
η	0.0001327	Pa×s	614.19	Calculated Property
η	0.0001016	Pa×s	645.20	Calculated Property
η	0.0000797	Pa×s	676.22	Calculated Property
η	0.0000638	Pa×s	707.23	Calculated Property
η	0.0000521	Pa×s	738.24	Calculated Property
η	0.0000432	Pa×s	769.25	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-biphenyl propyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.