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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [188.08; 431.60] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.63190e+01
Coefficient B1.03714e+00
Coefficient C-8.70320e-04
Coefficient D3.01100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 188.08 J/mol×K 273.00 Calculated Property
Cp,gas 235.00 J/mol×K 353.78 Calculated Property
Cp,gas 274.73 J/mol×K 434.56 Calculated Property
Cp,gas 308.23 J/mol×K 515.33 Calculated Property
Cp,gas 336.45 J/mol×K 596.11 Calculated Property
Cp,gas 360.33 J/mol×K 676.89 Calculated Property
Cp,gas 380.83 J/mol×K 757.67 Calculated Property
Cp,gas 398.91 J/mol×K 838.44 Calculated Property
Cp,gas 415.52 J/mol×K 919.22 Calculated Property
Cp,gas 431.60 J/mol×K 1000.00 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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