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

InChI

InChI=1S/C26H38O4/c1-4-5-6-7-14-19-29-24(27)26(2,3)25(28)30-23(22-17-12-9-13-18-22)20-21-15-10-8-11-16-21/h9-10,12-13,15,17-18,21,23H,4-8,11,14,16,19-20H2,1-3H3

InChI Key

UKANIDFILJAQNW-UHFFFAOYSA-N

Formula

C26H38O4

SMILES

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

Molecular Weight¹

414.59

• 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	[486.09; 1214.17]	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			-8.78130e+01
Coefficient B			2.48316e+00
Coefficient C			-1.47588e-03
Coefficient D			2.94700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	486.09	J/mol×K	273.00	Calculated Property
Cp,gas	619.00	J/mol×K	353.78	Calculated Property
Cp,gas	736.74	J/mol×K	434.56	Calculated Property
Cp,gas	840.23	J/mol×K	515.33	Calculated Property
Cp,gas	930.40	J/mol×K	596.11	Calculated Property
Cp,gas	1008.19	J/mol×K	676.89	Calculated Property
Cp,gas	1074.53	J/mol×K	757.67	Calculated Property
Cp,gas	1130.35	J/mol×K	838.44	Calculated Property
Cp,gas	1176.59	J/mol×K	919.22	Calculated Property
Cp,gas	1214.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006215; 0.0000252]	Pa×s	[489.42; 822.02]	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			-1.53077e+01
Coefficient B			3.87833e+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.			489.42
Temperature range, max.			822.02
η	0.0006215	Pa×s	489.42	Calculated Property
η	0.0003563	Pa×s	526.38	Calculated Property
η	0.0002197	Pa×s	563.33	Calculated Property
η	0.0001438	Pa×s	600.29	Calculated Property
η	0.0000989	Pa×s	637.24	Calculated Property
η	0.0000708	Pa×s	674.20	Calculated Property
η	0.0000525	Pa×s	711.16	Calculated Property
η	0.0000401	Pa×s	748.11	Calculated Property
η	0.0000314	Pa×s	785.07	Calculated Property
η	0.0000252	Pa×s	822.02	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, heptyl 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

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.