Chemical Properties of Epiaphyllidine

InChI

InChI=1S/C15H22N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h5,11-12,14H,1-4,6-10H2/t11?,12?,14-/m0/s1

InChI Key

UAAWNTMXVSONPU-YIZWMMSDSA-N

Formula

C15H22N2O

SMILES

O=C1C2CC(CN3CCCCC23)C2=CCCCN12

Molecular Weight¹

246.35

Other Names

• 11-epi-Aphyllidine

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4959		Relay (... Calculated Property
ΔfG°	192.87	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-192.41	kJ/mol	Relay (... Calculated Property
ΔvapH°	92.82	kJ/mol	Relay (... Calculated Property
IE	7.65	eV	Relay (... Calculated Property
log10WS	-1.69		Relay (... Calculated Property
logPoct/wat	1.997		Crippen Calculated Property
McVol	196.000	ml/mol	McGowan Calculated Property
Pc	1856.46	kPa	Relay (... Calculated Property ⚠️
Inp	[2020.00; 2030.00]
Inp	2020.00		NIST
Inp	2030.00		NIST
Inp	2020.00		NIST
Inp	2020.00		NIST
Inp	2020.00		NIST
Tboil	616.99	K	Relay (... Calculated Property
Tc	922.26	K	Relay (... Calculated Property
Tfus	446.38	K	Relay (... Calculated Property
Vc	0.716	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Epiaphyllidine.

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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