Chemical Properties of Alphacetylmethadol (CAS 17199-58-5)

InChI

InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3

InChI Key

XBMIVRRWGCYBTQ-UHFFFAOYSA-N

Formula

C23H31NO2

SMILES

CCC(OC(C)=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1

Molecular Weight¹

353.50

CAS

17199-58-5

Other Names

• Acetylmethadol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• 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
ΔfG°	242.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.57	kJ/mol	Joback Calculated Property
ΔfusH°	34.76	kJ/mol	Joback Calculated Property
ΔvapH°	80.47	kJ/mol	Joback Calculated Property
log10WS	-5.09		Crippen Calculated Property
logPoct/wat	4.655		Crippen Calculated Property
McVol	304.830	ml/mol	McGowan Calculated Property
Pc	1387.11	kPa	Joback Calculated Property
Inp	[2187.00; 2187.00]
Inp	2187.00		NIST
Inp	2187.00		NIST
Tboil	863.62	K	Joback Calculated Property
Tc	1088.26	K	Joback Calculated Property
Tfus	478.86	K	Joback Calculated Property
Vc	1.127	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[958.11; 1047.23]	J/mol×K	[863.62; 1088.26]
Cp,gas	958.11	J/mol×K	863.62	Joback Calculated Property
Cp,gas	975.97	J/mol×K	901.06	Joback Calculated Property
Cp,gas	992.48	J/mol×K	938.50	Joback Calculated Property
Cp,gas	1007.75	J/mol×K	975.94	Joback Calculated Property
Cp,gas	1021.89	J/mol×K	1013.38	Joback Calculated Property
Cp,gas	1035.01	J/mol×K	1050.82	Joback Calculated Property
Cp,gas	1047.23	J/mol×K	1088.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Alphacetylmethadol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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