Chemical Properties of Buphedrone (CAS 408332-79-6)

InChI

InChI=1S/C11H15NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3

InChI Key

DDPMGIMJSRUULN-UHFFFAOYSA-N

Formula

C11H15NO

SMILES

CCC(NC)C(=O)c1ccccc1

Molecular Weight¹

177.24

CAS

408332-79-6

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.4858		Relay (1.0) Calculated Property
ΔfG°	112.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-75.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.46	kJ/mol	Joback Calculated Property
ΔvapH°	72.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
log10WS	-1.21		Relay (1.0) Calculated Property
logPoct/wat	1.867		Crippen Calculated Property
McVol	153.640	ml/mol	McGowan Calculated Property
Pc	2893.62	kPa	Joback Calculated Property
Inp	[1427.60; 1427.60]
Inp	1427.60		NIST
Inp	1427.60		NIST
Tboil	532.72	K	Relay (1.0) Calculated Property
Tc	746.94	K	Relay (1.0) Calculated Property
Tfus	343.89	K	Relay (1.0) Calculated Property
Vc	0.537	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.57; 447.88]	J/mol×K	[581.36; 797.40]
Cp,gas	371.57	J/mol×K	581.36	Joback Calculated Property
Cp,gas	386.54	J/mol×K	617.37	Joback Calculated Property
Cp,gas	400.55	J/mol×K	653.37	Joback Calculated Property
Cp,gas	413.65	J/mol×K	689.38	Joback Calculated Property
Cp,gas	425.88	J/mol×K	725.38	Joback Calculated Property
Cp,gas	437.28	J/mol×K	761.39	Joback Calculated Property
Cp,gas	447.88	J/mol×K	797.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Buphedrone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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