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

InChI

InChI=1S/C31H48O4/c1-4-5-6-7-8-9-10-11-12-19-24-34-29(32)31(2,3)30(33)35-28(27-22-17-14-18-23-27)25-26-20-15-13-16-21-26/h14-15,17-18,20,22-23,26,28H,4-13,16,19,21,24-25H2,1-3H3

InChI Key

RBFFBCDOGUOTEA-UHFFFAOYSA-N

Formula

C31H48O4

SMILES

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

Molecular Weight¹

484.72

• 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	[592.16; 1472.12]	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			-9.23580e+01
Coefficient B			2.95816e+00
Coefficient C			-1.74788e-03
Coefficient D			3.54200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	592.16	J/mol×K	273.00	Calculated Property
Cp,gas	751.09	J/mol×K	353.78	Calculated Property
Cp,gas	892.13	J/mol×K	434.56	Calculated Property
Cp,gas	1016.37	J/mol×K	515.33	Calculated Property
Cp,gas	1124.96	J/mol×K	596.11	Calculated Property
Cp,gas	1219.00	J/mol×K	676.89	Calculated Property
Cp,gas	1299.61	J/mol×K	757.67	Calculated Property
Cp,gas	1367.93	J/mol×K	838.44	Calculated Property
Cp,gas	1425.06	J/mol×K	919.22	Calculated Property
Cp,gas	1472.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002809; 0.0000113]	Pa×s	[545.77; 914.89]	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			-1.61464e+01
Coefficient B			4.34913e+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.			545.77
Temperature range, max.			914.89
η	0.0002809	Pa×s	545.77	Calculated Property
η	0.0001609	Pa×s	586.78	Calculated Property
η	0.0000992	Pa×s	627.80	Calculated Property
η	0.0000648	Pa×s	668.81	Calculated Property
η	0.0000445	Pa×s	709.82	Calculated Property
η	0.0000319	Pa×s	750.84	Calculated Property
η	0.0000236	Pa×s	791.85	Calculated Property
η	0.0000180	Pa×s	832.86	Calculated Property
η	0.0000141	Pa×s	873.88	Calculated Property
η	0.0000113	Pa×s	914.89	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dodecyl 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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