Chemical Properties of Mebhydroline M (nor), acetylated

InChI

InChI=1S/C20H20N2O/c1-15(23)21-12-11-20-18(14-21)17-9-5-6-10-19(17)22(20)13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3

InChI Key

YGSUGAURHSSLFW-UHFFFAOYSA-N

Formula

C20H20N2O

SMILES

CC(=O)N1CCc2c(c3ccccc3n2Cc2ccccc2)C1

Molecular Weight¹

304.39

• 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	0.6875		Relay (... Calculated Property
ΔfG°	369.47	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	120.25	kJ/mol	Relay (... Calculated Property
ΔvapH°	121.42	kJ/mol	Relay (... Calculated Property
IE	7.82	eV	Relay (... Calculated Property
log10WS	-3.45		Relay (... Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	240.650	ml/mol	McGowan Calculated Property
Pc	1662.44	kPa	Relay (... Calculated Property ⚠️
Inp	[2820.00; 2820.00]
Inp	2820.00		NIST
Inp	2820.00		NIST
Tboil	730.62	K	Relay (... Calculated Property
Tc	1037.56	K	Relay (... Calculated Property
Tfus	412.28	K	Relay (... Calculated Property
Vc	0.891	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Mebhydroline M (nor), acetylated.

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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