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

InChI

InChI=1S/C30H46O4/c1-4-5-6-7-8-9-10-11-18-23-33-28(31)30(2,3)29(32)34-27(26-21-16-13-17-22-26)24-25-19-14-12-15-20-25/h13-14,16-17,19,21-22,25,27H,4-12,15,18,20,23-24H2,1-3H3

InChI Key

NTXLBALGKHQCGC-UHFFFAOYSA-N

Formula

C30H46O4

SMILES

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

Molecular Weight¹

470.68

• 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	[570.94; 1420.53]	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			-9.14490e+01
Coefficient B			2.86316e+00
Coefficient C			-1.69348e-03
Coefficient D			3.42300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	570.94	J/mol×K	273.00	Calculated Property
Cp,gas	724.68	J/mol×K	353.78	Calculated Property
Cp,gas	861.05	J/mol×K	434.56	Calculated Property
Cp,gas	981.14	J/mol×K	515.33	Calculated Property
Cp,gas	1086.05	J/mol×K	596.11	Calculated Property
Cp,gas	1176.84	J/mol×K	676.89	Calculated Property
Cp,gas	1254.60	J/mol×K	757.67	Calculated Property
Cp,gas	1320.41	J/mol×K	838.44	Calculated Property
Cp,gas	1375.36	J/mol×K	919.22	Calculated Property
Cp,gas	1420.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003301; 0.0000134]	Pa×s	[534.50; 894.84]	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			-1.59768e+01
Coefficient B			4.25497e+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.			534.50
Temperature range, max.			894.84
η	0.0003301	Pa×s	534.50	Calculated Property
η	0.0001895	Pa×s	574.54	Calculated Property
η	0.0001170	Pa×s	614.58	Calculated Property
η	0.0000766	Pa×s	654.61	Calculated Property
η	0.0000527	Pa×s	694.65	Calculated Property
η	0.0000377	Pa×s	734.69	Calculated Property
η	0.0000280	Pa×s	774.73	Calculated Property
η	0.0000213	Pa×s	814.77	Calculated Property
η	0.0000167	Pa×s	854.80	Calculated Property
η	0.0000134	Pa×s	894.84	Calculated Property

Similar Compounds

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