Chemical Properties of 24-Methyl-23-dehydrolophenol acetate

InChI

InChI=1S/C31H50O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h9,11,19,21-22,25-29H,10,12-18H2,1-8H3/b20-9+/t21?,22-,25?,26-,27?,28?,29?,30?,31?/m1/s1

InChI Key

ORXXECLZMPJQFD-NGGGMAIESA-N

Formula

C31H50O2

SMILES

CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)CC=C(C)C(C)C)C3=CCC2C1C

Molecular Weight¹

454.73

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	[544.02; 1531.78]	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			-2.97839e+02
Coefficient B			3.84376e+00
Coefficient C			-3.07314e-03
Coefficient D			1.05900e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	544.02	J/mol×K	273.00	Calculated Property
Cp,gas	724.26	J/mol×K	353.78	Calculated Property
Cp,gas	879.06	J/mol×K	434.56	Calculated Property
Cp,gas	1011.78	J/mol×K	515.33	Calculated Property
Cp,gas	1125.76	J/mol×K	596.11	Calculated Property
Cp,gas	1224.35	J/mol×K	676.89	Calculated Property
Cp,gas	1310.89	J/mol×K	757.67	Calculated Property
Cp,gas	1388.75	J/mol×K	838.44	Calculated Property
Cp,gas	1461.26	J/mol×K	919.22	Calculated Property
Cp,gas	1531.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 24-Methyl-23-dehydrolophenol acetate.

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.
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