Chemical Properties of 4-Methoxy-5-bromo-dimethylaminobenzene

InChI

InChI=1S/C9H12BrNO/c1-11(2)7-4-5-9(12-3)8(10)6-7/h4-6H,1-3H3

InChI Key

ZPTYNMDNRYYQSI-UHFFFAOYSA-N

Formula

C9H12BrNO

SMILES

COc1ccc(N(C)C)cc1Br

Molecular Weight¹

230.10

• 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°	138.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-53.86	kJ/mol	Joback Calculated Property
ΔfusH°	21.82	kJ/mol	Joback Calculated Property
ΔvapH°	50.12	kJ/mol	Joback Calculated Property
log10WS	-2.66		Crippen Calculated Property
logPoct/wat	2.524		Crippen Calculated Property
McVol	147.260	ml/mol	McGowan Calculated Property
Pc	3337.38	kPa	Joback Calculated Property
Inp	[1633.00; 1633.00]
Inp	1633.00		NIST
Inp	1633.00		NIST
Tboil	542.98	K	Joback Calculated Property
Tc	763.98	K	Joback Calculated Property
Tfus	357.15	K	Joback Calculated Property
Vc	0.529	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.60; 377.86]	J/mol×K	[542.98; 763.98]
Cp,gas	310.60	J/mol×K	542.98	Joback Calculated Property
Cp,gas	323.64	J/mol×K	579.81	Joback Calculated Property
Cp,gas	335.91	J/mol×K	616.65	Joback Calculated Property
Cp,gas	347.44	J/mol×K	653.48	Joback Calculated Property
Cp,gas	358.26	J/mol×K	690.31	Joback Calculated Property
Cp,gas	368.39	J/mol×K	727.15	Joback Calculated Property
Cp,gas	377.86	J/mol×K	763.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methoxy-5-bromo-dimethylaminobenzene.

Sources

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

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