Chemical Properties of Lycoramine (CAS 21133-52-8)

InChI

InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3

InChI Key

GJRMHIXYLGOZSE-UHFFFAOYSA-N

Formula

C17H23NO3

SMILES

COc1ccc2c3c1OC1CC(O)CCC31CCN(C)C2

Molecular Weight¹

289.37

CAS

21133-52-8

• 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	0.7170		Relay (... Calculated Property
ΔfG°	-32.26	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-371.20	kJ/mol	Relay (... Calculated Property
ΔvapH°	122.17	kJ/mol	Relay (... Calculated Property
IE	7.75	eV	Relay (... Calculated Property
log10WS	-1.35		Relay (... Calculated Property
logPoct/wat	2.074		Crippen Calculated Property
McVol	221.640	ml/mol	McGowan Calculated Property
Pc	1715.05	kPa	Relay (... Calculated Property ⚠️
Inp	[2365.00; 2423.30]
Inp	2423.30		NIST
Inp	2365.00		NIST
Tboil	667.24	K	Relay (... Calculated Property
Tc	936.73	K	Relay (... Calculated Property
Tfus	407.35	K	Relay (... Calculated Property
Vc	0.825	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Lycoramine.

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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