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

InChI

InChI=1S/C29H44O4/c1-4-5-6-7-8-9-10-17-22-32-27(30)29(2,3)28(31)33-26(25-20-15-12-16-21-25)23-24-18-13-11-14-19-24/h12-13,15-16,18,20-21,24,26H,4-11,14,17,19,22-23H2,1-3H3

InChI Key

RFCTVWVKFJHBIY-UHFFFAOYSA-N

Formula

C29H44O4

SMILES

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

Molecular Weight¹

456.67

• 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	[549.73; 1368.94]	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			-9.05400e+01
Coefficient B			2.76816e+00
Coefficient C			-1.63908e-03
Coefficient D			3.30400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	549.73	J/mol×K	273.00	Calculated Property
Cp,gas	698.26	J/mol×K	353.78	Calculated Property
Cp,gas	829.97	J/mol×K	434.56	Calculated Property
Cp,gas	945.91	J/mol×K	515.33	Calculated Property
Cp,gas	1047.13	J/mol×K	596.11	Calculated Property
Cp,gas	1134.67	J/mol×K	676.89	Calculated Property
Cp,gas	1209.58	J/mol×K	757.67	Calculated Property
Cp,gas	1272.90	J/mol×K	838.44	Calculated Property
Cp,gas	1325.67	J/mol×K	919.22	Calculated Property
Cp,gas	1368.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003875; 0.0000158]	Pa×s	[523.23; 875.58]	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			-1.58080e+01
Coefficient B			4.16081e+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.			523.23
Temperature range, max.			875.58
η	0.0003875	Pa×s	523.23	Calculated Property
η	0.0002227	Pa×s	562.38	Calculated Property
η	0.0001376	Pa×s	601.53	Calculated Property
η	0.0000902	Pa×s	640.68	Calculated Property
η	0.0000620	Pa×s	679.83	Calculated Property
η	0.0000445	Pa×s	718.98	Calculated Property
η	0.0000330	Pa×s	758.13	Calculated Property
η	0.0000252	Pa×s	797.28	Calculated Property
η	0.0000197	Pa×s	836.43	Calculated Property
η	0.0000158	Pa×s	875.58	Calculated Property

Similar Compounds

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