Chemical Properties of Butylone M (dihydro), 2Ac

InChI

InChI=1S/C16H21NO5/c1-5-13(17(4)10(2)18)16(22-11(3)19)12-6-7-14-15(8-12)21-9-20-14/h6-8,13,16H,5,9H2,1-4H3

InChI Key

UNKMPYKKMAKTIC-UHFFFAOYSA-N

Formula

C16H21NO5

SMILES

CCC(C(OC(C)=O)c1ccc2c(c1)OCO2)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°	-183.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-631.25	kJ/mol	Joback Calculated Property
ΔfusH°	43.84	kJ/mol	Joback Calculated Property
ΔvapH°	81.22	kJ/mol	Joback Calculated Property
log10WS	-3.19		Crippen Calculated Property
logPoct/wat	2.276		Crippen Calculated Property
McVol	232.410	ml/mol	McGowan Calculated Property
Pc	2094.58	kPa	Joback Calculated Property
Inp	[2105.00; 2105.00]
Inp	2105.00		NIST
Inp	2105.00		NIST
Tboil	809.15	K	Joback Calculated Property
Tc	1025.91	K	Joback Calculated Property
Tfus	521.42	K	Joback Calculated Property
Vc	0.860	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[703.76; 774.89]	J/mol×K	[809.15; 1025.91]
Cp,gas	703.76	J/mol×K	809.15	Joback Calculated Property
Cp,gas	717.89	J/mol×K	845.28	Joback Calculated Property
Cp,gas	731.03	J/mol×K	881.40	Joback Calculated Property
Cp,gas	743.24	J/mol×K	917.53	Joback Calculated Property
Cp,gas	754.57	J/mol×K	953.65	Joback Calculated Property
Cp,gas	765.10	J/mol×K	989.78	Joback Calculated Property
Cp,gas	774.89	J/mol×K	1025.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butylone M (dihydro), 2Ac.

Sources

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

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