Chemical Properties of Alimemazine M (HO-), acetylated

InChI

InChI=1S/C20H24N2O2S/c1-14(12-21(3)4)13-22-17-7-5-6-8-19(17)25-20-11-16(24-15(2)23)9-10-18(20)22/h5-11,14H,12-13H2,1-4H3

InChI Key

ZQAKZDUDVCBPBB-UHFFFAOYSA-N

Formula

C20H24N2O2S

SMILES

CC(=O)Oc1ccc2c(c1)Sc1ccccc1N2CC(C)CN(C)C

Molecular Weight¹

356.48

Other Names

• Alimemazine M (hydroxy-), acetylated

• 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	0.7800		Relay (1.0) Calculated Property
ΔfG°	120.93	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-218.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	114.54	kJ/mol	Relay (1.0) Calculated Property
IE	6.76	eV	Relay (1.0) Calculated Property
log10WS	-4.83		Relay (1.0) Calculated Property
logPoct/wat	4.412		Crippen Calculated Property
McVol	278.030	ml/mol	McGowan Calculated Property
Pc	1665.21	kPa	Relay (1.0-beta) Calculated Property
Inp	[2550.00; 2600.00]
Inp	2600.00		NIST
Inp	2550.00		NIST
Inp	2600.00		NIST
Inp	2600.00		NIST
Tboil	720.28	K	Relay (1.0) Calculated Property
Tc	964.56	K	Relay (1.0) Calculated Property
Tfus	415.57	K	Relay (1.0) Calculated Property
Vc	0.983	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Alimemazine M (HO-), 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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