Chemical Properties of N-ACETYLCOLCHINOL METHYL ETHER

InChI

InChI=1S/C21H25NO5/c1-12(23)22-17-9-6-13-10-18(25-3)20(26-4)21(27-5)19(13)15-8-7-14(24-2)11-16(15)17/h7-8,10-11,17H,6,9H2,1-5H3,(H,22,23)

InChI Key

FEPNCXXZWLXIHV-UHFFFAOYSA-N

Formula

C21H25NO5

SMILES

COc1ccc2c(c1)C(NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2

Molecular Weight¹

371.43

Other Names

• Acetamide, N-(6,7-dihydro-3,9,10,11-tetramethoxy-5H-dibenzo(a,c)cyclohepten-5-yl)-, (S)-
• Colchinol, N-acetyl-, methyl ether
• SKF 287

• 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).
• 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	[407.04; 927.09]	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			5.96900e+01
Coefficient B			1.43040e+00
Coefficient C			-5.84860e-04
Coefficient D			2.18600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.04	J/mol×K	273.00	Calculated Property
Cp,gas	493.50	J/mol×K	353.78	Calculated Property
Cp,gas	572.63	J/mol×K	434.56	Calculated Property
Cp,gas	644.49	J/mol×K	515.33	Calculated Property
Cp,gas	709.17	J/mol×K	596.11	Calculated Property
Cp,gas	766.72	J/mol×K	676.89	Calculated Property
Cp,gas	817.22	J/mol×K	757.67	Calculated Property
Cp,gas	860.74	J/mol×K	838.44	Calculated Property
Cp,gas	897.34	J/mol×K	919.22	Calculated Property
Cp,gas	927.09	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-ACETYLCOLCHINOL METHYL ETHER.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.