Chemical Properties of 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone (CAS 116296-20-9)

InChI

InChI=1S/C16H21NO2/c1-17(2)9-12-11-6-4-5-10-7-8-13(19-3)15(14(10)11)16(12)18/h7-8,11-12H,4-6,9H2,1-3H3

InChI Key

QXXUCXAVKQQQEZ-UHFFFAOYSA-N

Formula

C16H21NO2

SMILES

COc1ccc2c3c1C(=O)C(CN(C)C)C3CCC2

Molecular Weight¹

259.34

CAS

116296-20-9

• 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	[621.97; 715.40]	J/mol×K	[723.26; 947.48]
Cp,gas	621.97	J/mol×K	723.26	Joback Calculated Property
Cp,gas	640.28	J/mol×K	760.63	Joback Calculated Property
Cp,gas	657.42	J/mol×K	798.00	Joback Calculated Property
Cp,gas	673.43	J/mol×K	835.37	Joback Calculated Property
Cp,gas	688.40	J/mol×K	872.74	Joback Calculated Property
Cp,gas	702.37	J/mol×K	910.11	Joback Calculated Property
Cp,gas	715.40	J/mol×K	947.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone.

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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