Chemical Properties of Homoarecoline

InChI

InChI=1S/C9H15NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h5H,3-4,6-7H2,1-2H3

InChI Key

UNARQANIGOBIHM-UHFFFAOYSA-N

Formula

C9H15NO2

SMILES

CCOC(=O)C1=CCCN(C)C1

Molecular Weight¹

169.22

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-300.50	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.13e-03		Relay (1.0) Calculated Property
logPoct/wat	0.811		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Inp	[1307.00; 1307.00]
Inp	1307.00		NIST
Inp	1307.00		NIST
Tboil	491.94	K	Relay (1.0) Calculated Property
Tfus	261.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Similar Compounds

Find more compounds similar to Homoarecoline.

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
• McGowan Method
• NIST Webbook

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