Chemical Properties of ALPHA-BROMO-PARA-TOLUNITRILE

ALPHA-BROMO-PARA-TOLUNITRILE

InChI
InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key
UMLFTCYAQPPZER-UHFFFAOYSA-N
Formula
C8H6BrN
SMILES
N#Cc1ccc(CBr)cc1
Molecular Weight1
196.05
Other Names
  • .ALPHA.-bromo-p-tolunitrile
  • 4-(Bromomethyl)benzonitrile
  • 4-Cyanobenzyl bromide
  • Benzonitrile, 4-(bromomethyl)-
  • Benzonitrile, p-(bromomethyl)-
  • NSC 95792
  • p-(Bromomethyl)benzonitrile
  • p-Cyanobenzyl bromide
  • p-Tolunitrile, «alpha»-bromo-
  • p-Toluonitrile, «alpha»-bromo-
  • «alpha»-bromo-p-toluonitrile
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.5075 Relay (1.0) Calculated Property
ΔfG° 266.76 kJ/mol Joback Calculated Property
ΔfH°gas 193.00 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.92 kJ/mol Joback Calculated Property
ΔvapH° 71.21 kJ/mol Relay (1.0) Calculated Property
IE 9.70 eV Relay (1.0) Calculated Property
log10WS -2.89 Relay (1.0) Calculated Property
logPoct/wat 2.453 Crippen Calculated Property
McVol 118.700 ml/mol McGowan Calculated Property
Pc 3782.33 kPa Joback Calculated Property
Tboil 539.88 K Relay (1.0) Calculated Property
Tc 785.28 K Relay (1.0) Calculated Property
Tfus 388.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [135.85; 296.04] 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 A1.20100e+00
Coefficient B5.98400e-01
Coefficient C-4.15960e-04
Coefficient D1.12400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 135.85 J/mol×K 273.00 Calculated Property
Cp,gas 165.82 J/mol×K 353.78 Calculated Property
Cp,gas 191.91 J/mol×K 434.56 Calculated Property
Cp,gas 214.49 J/mol×K 515.33 Calculated Property
Cp,gas 233.91 J/mol×K 596.11 Calculated Property
Cp,gas 250.53 J/mol×K 676.89 Calculated Property
Cp,gas 264.69 J/mol×K 757.67 Calculated Property
Cp,gas 276.76 J/mol×K 838.44 Calculated Property
Cp,gas 287.09 J/mol×K 919.22 Calculated Property
Cp,gas 296.04 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, 1,4-bis(bromomethyl)-. Benzene, 1-(bromomethyl)-4-methyl-. Benzene, (bromomethyl)-. 4-Cyanobenzyl radical. 4-Trifluoromethylbenzyl bromide. Benzonitrile, 3-(bromomethyl)-. Benzonitrile, 4-methyl-. Benzene, 1,3-bis(bromomethyl)-. m-Xylyl bromide. 4-Chlorobenzyl bromide. Benzene, 1-(bromomethyl)-4-fluoro-. 4-(CH2Cl)-C6H4-CN. 2-(BROMOMETHYL)NAPHTHALENE. Benzene, 1,2-bis(bromomethyl)-. 3-Cyanobenzyl radical.

Find more compounds similar to ALPHA-BROMO-PARA-TOLUNITRILE.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.