Chemical Properties of Methylone M (demethylenyl, 3-O-methyl, nor), 2Ac

InChI

InChI=1S/C14H17NO5/c1-8(15-9(2)16)14(18)11-5-6-12(20-10(3)17)13(7-11)19-4/h5-8H,1-4H3,(H,15,16)

InChI Key

NZDJVZBBLUFYRS-UHFFFAOYSA-N

Formula

C14H17NO5

SMILES

COc1cc(C(=O)C(C)NC(C)=O)ccc1OC(C)=O

Molecular Weight¹

279.29

• 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°	-349.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-672.69	kJ/mol	Joback Calculated Property
ΔfusH°	34.03	kJ/mol	Joback Calculated Property
ΔvapH°	81.46	kJ/mol	Joback Calculated Property
log10WS	-2.90		Crippen Calculated Property
logPoct/wat	1.328		Crippen Calculated Property
McVol	210.790	ml/mol	McGowan Calculated Property
Pc	2300.32	kPa	Joback Calculated Property
Inp	[1990.00; 1990.00]
Inp	1990.00		NIST
Inp	1990.00		NIST
Tboil	812.54	K	Joback Calculated Property
Tc	1029.12	K	Joback Calculated Property
Tfus	530.91	K	Joback Calculated Property
Vc	0.794	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.39; 664.07]	J/mol×K	[812.54; 1029.12]
Cp,gas	606.39	J/mol×K	812.54	Joback Calculated Property
Cp,gas	618.59	J/mol×K	848.64	Joback Calculated Property
Cp,gas	629.75	J/mol×K	884.73	Joback Calculated Property
Cp,gas	639.88	J/mol×K	920.83	Joback Calculated Property
Cp,gas	648.98	J/mol×K	956.93	Joback Calculated Property
Cp,gas	657.04	J/mol×K	993.02	Joback Calculated Property
Cp,gas	664.07	J/mol×K	1029.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methylone M (demethylenyl, 3-O-methyl, nor), 2Ac.

Sources

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

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