Chemical Properties of Butylone (CAS 802575-11-7)

InChI

InChI=1S/C12H15NO3/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10/h4-6,9,13H,3,7H2,1-2H3

InChI Key

CGKQZIULZRXRRJ-UHFFFAOYSA-N

Formula

C12H15NO3

SMILES

CCC(NC)C(=O)c1ccc2c(c1)OCO2

Molecular Weight¹

221.25

CAS

802575-11-7

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[461.49; 530.27]	J/mol×K	[679.51; 903.50]
Cp,gas	461.49	J/mol×K	679.51	Joback Calculated Property
Cp,gas	475.08	J/mol×K	716.84	Joback Calculated Property
Cp,gas	487.72	J/mol×K	754.17	Joback Calculated Property
Cp,gas	499.50	J/mol×K	791.50	Joback Calculated Property
Cp,gas	510.47	J/mol×K	828.84	Joback Calculated Property
Cp,gas	520.70	J/mol×K	866.17	Joback Calculated Property
Cp,gas	530.27	J/mol×K	903.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butylone.

Sources

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

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