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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[914.52; 970.96]	J/mol×K	[963.58; 1193.70]
Cp,gas	914.52	J/mol×K	963.58	Joback Calculated Property
Cp,gas	927.72	J/mol×K	1001.93	Joback Calculated Property
Cp,gas	939.39	J/mol×K	1040.29	Joback Calculated Property
Cp,gas	949.55	J/mol×K	1078.64	Joback Calculated Property
Cp,gas	958.19	J/mol×K	1116.99	Joback Calculated Property
Cp,gas	965.32	J/mol×K	1155.35	Joback Calculated Property
Cp,gas	970.96	J/mol×K	1193.70	Joback 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

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