Chemical Properties of Mephedrone M (Ar-carboxy, dihydro), 3Ac

InChI

InChI=1S/C17H21NO6/c1-9(18(5)11(3)20)16(24-12(4)21)14-7-6-13(17(22)23)8-15(14)10(2)19/h6-9,16H,1-5H3,(H,22,23)

InChI Key

OWLXLIYMSCQNHM-UHFFFAOYSA-N

Formula

C17H21NO6

SMILES

CC(=O)OC(c1ccc(C(=O)O)cc1C(C)=O)C(C)N(C)C(C)=O

Molecular Weight¹

335.35

• 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°	-466.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-858.42	kJ/mol	Joback Calculated Property
ΔfusH°	40.70	kJ/mol	Joback Calculated Property
ΔvapH°	104.38	kJ/mol	Joback Calculated Property
log10WS	-3.28		Crippen Calculated Property
logPoct/wat	2.058		Crippen Calculated Property
McVol	254.630	ml/mol	McGowan Calculated Property
Pc	2051.17	kPa	Joback Calculated Property
Inp	[2235.00; 2235.00]
Inp	2235.00		NIST
Inp	2235.00		NIST
Tboil	966.64	K	Joback Calculated Property
Tc	1187.35	K	Joback Calculated Property
Tfus	618.05	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.06; 839.41]	J/mol×K	[966.64; 1187.35]
Cp,gas	795.06	J/mol×K	966.64	Joback Calculated Property
Cp,gas	805.00	J/mol×K	1003.43	Joback Calculated Property
Cp,gas	813.87	J/mol×K	1040.21	Joback Calculated Property
Cp,gas	821.71	J/mol×K	1077.00	Joback Calculated Property
Cp,gas	828.55	J/mol×K	1113.78	Joback Calculated Property
Cp,gas	834.44	J/mol×K	1150.57	Joback Calculated Property
Cp,gas	839.41	J/mol×K	1187.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Mephedrone M (Ar-carboxy, dihydro), 3Ac.

Sources

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

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