Chemical Properties of 4-Bromo-alpha-(dimethylamino)-o-cresol (CAS 42313-79-1)

4-Bromo-alpha-(dimethylamino)-o-cresol

InChI
InChI=1S/C9H12BrNO/c1-11(2)6-7-5-8(10)3-4-9(7)12/h3-5,12H,6H2,1-2H3
InChI Key
VKWZAKOXYMCAER-UHFFFAOYSA-N
Formula
C9H12BrNO
SMILES
CN(C)Cc1cc(Br)ccc1O
Molecular Weight1
230.10
CAS
42313-79-1
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Physical Properties

Property Value Unit Source
ΔfusH° 26.81 kJ/mol Joback Calculated Property
logPoct/wat 2.216 Crippen Calculated Property
McVol 147.260 ml/mol McGowan Calculated Property
Tboil 548.85 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [336.47; 397.09] J/mol×K [596.20; 829.90] Show Hide
Cp,gas 336.47 J/mol×K 596.20 Joback Calculated Property
Cp,gas 348.47 J/mol×K 635.15 Joback Calculated Property
Cp,gas 359.57 J/mol×K 674.10 Joback Calculated Property
Cp,gas 369.87 J/mol×K 713.05 Joback Calculated Property
Cp,gas 379.49 J/mol×K 752.00 Joback Calculated Property
Cp,gas 388.52 J/mol×K 790.95 Joback Calculated Property
Cp,gas 397.09 J/mol×K 829.90 Joback Calculated Property

Similar Compounds

4-Chloro-a-(dimethylamino)-o-cresol. Alpha,alpha'-bis(dimethylamino)-4,4'-di-o-cresol. 2,5-Bis (n-benzyl-n-methyl-aminomethyl) hydroquinone. Alpha^2,alpha^6-bis-(dimethylamino)-2,6-xylenol. 2-[(Dimethylamino)methyl]-4-isopropoxyphenol. 3-(Dimethylaminomethyl)-4-hydroxy acetanilide. 2-[(Dimethylamino)methyl]-4-propoxyphenol. 6-(Dimethylaminomethyl)-2,2'-thio-bis-(4-chlorophenol). Phthalimide, n-(o-hydroxybenzyl)-. Phenol, 2,4,6-tris[(dimethylamino)methyl]-. 4-Tert-butyl-2-[(diethylamino)methyl]phenol. 2-[(Dimethylamino)methyl]-4-(pentyloxy)phenol. 2-([Bis(2-hydroxyethyl)amino]methyl)-4-tert-butylphenol. 4-Tert-butyl-2-(4-morpholinylmethyl)phenol. 2-Dimethylamino-4-phenyl-2,6-xylenol.

Find more compounds similar to 4-Bromo-alpha-(dimethylamino)-o-cresol.

Sources

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