Chemical Properties of Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl propyl ester

InChI

InChI=1S/C22H30O4/c1-4-15-25-20(23)22(2,3)21(24)26-19(18-13-9-6-10-14-18)16-17-11-7-5-8-12-17/h6-7,9-11,13-14,17,19H,4-5,8,12,15-16H2,1-3H3

InChI Key

QEDJNZDPFQOXKW-UHFFFAOYSA-N

Formula

C22H30O4

SMILES

CCCOC(=O)C(C)(C)C(=O)OC(CC1C=CCCC1)c1ccccc1

Molecular Weight¹

358.47

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[401.23; 1007.80]	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			-8.41770e+01
Coefficient B			2.10316e+00
Coefficient C			-1.25828e-03
Coefficient D			2.47100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	401.23	J/mol×K	273.00	Calculated Property
Cp,gas	513.33	J/mol×K	353.78	Calculated Property
Cp,gas	612.43	J/mol×K	434.56	Calculated Property
Cp,gas	699.31	J/mol×K	515.33	Calculated Property
Cp,gas	774.75	J/mol×K	596.11	Calculated Property
Cp,gas	839.55	J/mol×K	676.89	Calculated Property
Cp,gas	894.47	J/mol×K	757.67	Calculated Property
Cp,gas	940.29	J/mol×K	838.44	Calculated Property
Cp,gas	977.81	J/mol×K	919.22	Calculated Property
Cp,gas	1007.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011403; 0.0000435]	Pa×s	[444.34; 758.97]	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			-1.46571e+01
Coefficient B			3.50169e+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.			444.34
Temperature range, max.			758.97
η	0.0011403	Pa×s	444.34	Calculated Property
η	0.0006418	Pa×s	479.30	Calculated Property
η	0.0003906	Pa×s	514.26	Calculated Property
η	0.0002532	Pa×s	549.22	Calculated Property
η	0.0001729	Pa×s	584.17	Calculated Property
η	0.0001232	Pa×s	619.13	Calculated Property
η	0.0000911	Pa×s	654.09	Calculated Property
η	0.0000694	Pa×s	689.05	Calculated Property
η	0.0000543	Pa×s	724.01	Calculated Property
η	0.0000435	Pa×s	758.97	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 1-phenyl-2-(cyclohex-2-enyl)ethyl propyl 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

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