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_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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-316.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.77	kJ/mol	Joback Calculated Property
ΔvapH°	86.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-1.64		Relay (1.0) Calculated Property
logPoct/wat	2.045		Crippen Calculated Property
McVol	183.390	ml/mol	McGowan Calculated Property
Inp	[1915.00; 1915.00]
Inp	1915.00		NIST
Inp	1915.00		NIST
Tboil	582.09	K	Relay (1.0) Calculated Property
Tc	792.15	K	Relay (1.0) Calculated Property
Tfus	362.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• 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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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