Chemical Properties of 4-Bromo-2,5-dimethoxyphenethylamine (CAS 66142-81-2)

InChI

InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3

InChI Key

YMHOBZXQZVXHBM-UHFFFAOYSA-N

Formula

C10H14BrNO2

SMILES

COc1cc(CCN)c(OC)cc1Br

Molecular Weight¹

260.13

CAS

66142-81-2

Other Names

• Bromo-2,5-dimethoxyphenylethylamine
• 2-CB
• BDMPEA
• 2,5-Dimethoxy-4-bromophenethylamine
• Benzeneethanamine, 4-bromo-2,5-dimethoxy-

• 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°	-12.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-251.93	kJ/mol	Joback Calculated Property
ΔfusH°	27.39	kJ/mol	Joback Calculated Property
ΔvapH°	64.01	kJ/mol	Joback Calculated Property
log10WS	-3.11		Crippen Calculated Property
logPoct/wat	1.968		Crippen Calculated Property
McVol	167.220	ml/mol	McGowan Calculated Property
Pc	3086.42	kPa	Joback Calculated Property
Inp	[1841.00; 1841.00]
Inp	1841.00		NIST
Inp	1841.00		NIST
Tboil	653.35	K	Joback Calculated Property
Tc	879.36	K	Joback Calculated Property
Tfus	453.96	K	Joback Calculated Property
Vc	0.615	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[400.90; 465.79]	J/mol×K	[653.35; 879.36]
Cp,gas	400.90	J/mol×K	653.35	Joback Calculated Property
Cp,gas	413.53	J/mol×K	691.02	Joback Calculated Property
Cp,gas	425.44	J/mol×K	728.69	Joback Calculated Property
Cp,gas	436.62	J/mol×K	766.35	Joback Calculated Property
Cp,gas	447.07	J/mol×K	804.02	Joback Calculated Property
Cp,gas	456.80	J/mol×K	841.69	Joback Calculated Property
Cp,gas	465.79	J/mol×K	879.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromo-2,5-dimethoxyphenethylamine.

Sources

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

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