Chemical Properties of Butylone M (demethylenyl, 3-O-methyl), 2Ac

InChI

InChI=1S/C16H21NO5/c1-6-13(17(4)10(2)18)16(20)12-7-8-14(22-11(3)19)15(9-12)21-5/h7-9,13H,6H2,1-5H3

InChI Key

OSIBURBXMQMLCX-UHFFFAOYSA-N

Formula

C16H21NO5

SMILES

CCC(C(=O)c1ccc(OC(C)=O)c(OC)c1)N(C)C(C)=O

Molecular Weight¹

307.34

• 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°	-311.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-699.91	kJ/mol	Joback Calculated Property
ΔfusH°	37.13	kJ/mol	Joback Calculated Property
ΔvapH°	81.52	kJ/mol	Joback Calculated Property
log10WS	-3.12		Crippen Calculated Property
logPoct/wat	2.060		Crippen Calculated Property
McVol	238.970	ml/mol	McGowan Calculated Property
Pc	1903.58	kPa	Joback Calculated Property
Inp	[2250.00; 2250.00]
Inp	2250.00		NIST
Inp	2250.00		NIST
Tboil	820.57	K	Joback Calculated Property
Tc	1031.04	K	Joback Calculated Property
Tfus	533.26	K	Joback Calculated Property
Vc	0.889	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[704.62; 770.09]	J/mol×K	[820.57; 1031.04]
Cp,gas	704.62	J/mol×K	820.57	Joback Calculated Property
Cp,gas	718.19	J/mol×K	855.65	Joback Calculated Property
Cp,gas	730.68	J/mol×K	890.73	Joback Calculated Property
Cp,gas	742.10	J/mol×K	925.80	Joback Calculated Property
Cp,gas	752.47	J/mol×K	960.88	Joback Calculated Property
Cp,gas	761.79	J/mol×K	995.96	Joback Calculated Property
Cp,gas	770.09	J/mol×K	1031.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butylone M (demethylenyl, 3-O-methyl), 2Ac.

Sources

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

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