Chemical Properties of Diethylmalonic acid, 2-methylhex-3-yl phenethyl ester

InChI

InChI=1S/C22H34O4/c1-6-12-19(17(4)5)26-21(24)22(7-2,8-3)20(23)25-16-15-18-13-10-9-11-14-18/h9-11,13-14,17,19H,6-8,12,15-16H2,1-5H3

InChI Key

CNJRDUBABOHXLQ-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCC(OC(=O)C(CC)(CC)C(=O)OCCc1ccccc1)C(C)C

Molecular Weight¹

362.50

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[445.51; 1054.57]	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			-2.80340e+01
Coefficient B			2.04300e+00
Coefficient C			-1.19320e-03
Coefficient D			2.32800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	445.51	J/mol×K	273.00	Calculated Property
Cp,gas	555.70	J/mol×K	353.78	Calculated Property
Cp,gas	653.54	J/mol×K	434.56	Calculated Property
Cp,gas	739.78	J/mol×K	515.33	Calculated Property
Cp,gas	815.13	J/mol×K	596.11	Calculated Property
Cp,gas	880.35	J/mol×K	676.89	Calculated Property
Cp,gas	936.17	J/mol×K	757.67	Calculated Property
Cp,gas	983.32	J/mol×K	838.44	Calculated Property
Cp,gas	1022.54	J/mol×K	919.22	Calculated Property
Cp,gas	1054.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013452; 0.0000391]	Pa×s	[421.20; 731.94]	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			-1.49469e+01
Coefficient B			3.51100e+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.			421.20
Temperature range, max.			731.94
η	0.0013452	Pa×s	421.20	Calculated Property
η	0.0007153	Pa×s	455.73	Calculated Property
η	0.0004158	Pa×s	490.25	Calculated Property
η	0.0002596	Pa×s	524.78	Calculated Property
η	0.0001717	Pa×s	559.31	Calculated Property
η	0.0001192	Pa×s	593.83	Calculated Property
η	0.0000862	Pa×s	628.36	Calculated Property
η	0.0000644	Pa×s	662.89	Calculated Property
η	0.0000495	Pa×s	697.41	Calculated Property
η	0.0000391	Pa×s	731.94	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-methylhex-3-yl phenethyl 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

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.