Chemical Properties of Mephedrone, Ac

InChI

InChI=1S/C13H17NO2/c1-9-5-7-12(8-6-9)13(16)10(2)14(4)11(3)15/h5-8,10H,1-4H3

InChI Key

WILMIIORFNUDME-UHFFFAOYSA-N

Formula

C13H17NO2

SMILES

CC(=O)N(C)C(C)C(=O)c1ccc(C)cc1

Molecular Weight¹

219.28

• 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°	11.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-249.50	kJ/mol	Joback Calculated Property
ΔfusH°	25.77	kJ/mol	Joback Calculated Property
ΔvapH°	62.62	kJ/mol	Joback Calculated Property
log10WS	-2.74		Crippen Calculated Property
logPoct/wat	2.045		Crippen Calculated Property
McVol	183.390	ml/mol	McGowan Calculated Property
Pc	2455.60	kPa	Joback Calculated Property
Inp	[1915.00; 1915.00]
Inp	1915.00		NIST
Inp	1915.00		NIST
Tboil	648.24	K	Joback Calculated Property
Tc	862.51	K	Joback Calculated Property
Tfus	392.54	K	Joback Calculated Property
Vc	0.679	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[474.35; 551.11]	J/mol×K	[648.24; 862.51]
Cp,gas	474.35	J/mol×K	648.24	Joback Calculated Property
Cp,gas	489.49	J/mol×K	683.95	Joback Calculated Property
Cp,gas	503.63	J/mol×K	719.66	Joback Calculated Property
Cp,gas	516.82	J/mol×K	755.37	Joback Calculated Property
Cp,gas	529.11	J/mol×K	791.08	Joback Calculated Property
Cp,gas	540.52	J/mol×K	826.80	Joback Calculated Property
Cp,gas	551.11	J/mol×K	862.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Mephedrone, Ac.

Sources

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

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