Chemical Properties of Benzenepropanenitrile, «alpha»,3-dichloro-2-methyl- (CAS 21342-85-8)

Benzenepropanenitrile, «alpha»,3-dichloro-2-methyl-

InChI
InChI=1S/C10H9Cl2N/c1-7-8(5-9(11)6-13)3-2-4-10(7)12/h2-4,9H,5H2,1H3
InChI Key
YYJUXSGXHHPBTK-UHFFFAOYSA-N
Formula
C10H9Cl2N
SMILES
Cc1c(Cl)cccc1CC(Cl)C#N
Molecular Weight1
214.09
CAS
21342-85-8
Other Names
  • CCTP
  • FMC 28979
  • Hydrocinnamonitrile, «alpha»,3-Dichloro-2-methyl-
  • Orthonil
  • PRB 8
  • PRB 200
  • 2-Chloro-3-(3-chloro-o-tolyl)-propionitrile
  • Bi-Act
  • Propionitrile, 2-chloro-3-(3-chloro-o-tolyl)-
  • NSC 239071
  • 2-(2-Chloro-2-cyanoethyl)-6-chlorotolyl
  • 2-chloro-3-(m-chloro-o-tolyl)propionitrile
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Physical Properties

Property Value Unit Source
ΔfusH° 21.30 kJ/mol Joback Calculated Property
logPoct/wat 3.322 Crippen Calculated Property
McVol 153.860 ml/mol McGowan Calculated Property
Tboil 549.39 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 384.20 K 0.07 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [193.34; 404.19] 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 A2.95910e+01
Coefficient B7.10220e-01
Coefficient C-4.30320e-04
Coefficient D9.47000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 193.34 J/mol×K 273.00 Calculated Property
Cp,gas 231.19 J/mol×K 353.78 Calculated Property
Cp,gas 264.73 J/mol×K 434.56 Calculated Property
Cp,gas 294.27 J/mol×K 515.33 Calculated Property
Cp,gas 320.11 J/mol×K 596.11 Calculated Property
Cp,gas 342.54 J/mol×K 676.89 Calculated Property
Cp,gas 361.86 J/mol×K 757.67 Calculated Property
Cp,gas 378.38 J/mol×K 838.44 Calculated Property
Cp,gas 392.39 J/mol×K 919.22 Calculated Property
Cp,gas 404.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

Benzene, 2-(2-chlorobutyl)-1,4-dimethyl. 5-Chloro-1-indanone. 4-(7-Ethyl-3-methyl-5-propenyl-2,3-dihydro-benzofuran-2-yl)-2-methoxy-phenol, TMS. 17«alpha»-ethynylestradiol, 3-butyrate. 17.alpha.-ethynylestradiol, 3-propionate. Emetine. Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-. Mercumallylic acid. 17.alpha.-Ethynylestradiol, 3-(tert-butyldimethylsilyl) ether. Nadolol tri-TMS derivative. APRINDINE, M(HO-), AC. Maprotiline M(HO-ethanediyl), diacetylated. Estra-1,3,5(10)-triene-16beta-ylacetic acid lactone, 17beta-hydroxy-3-methoxy-. 4-(7-Ethyl-3-methyl-5-propenyl-2,3-dihydro-benzofuran-2-yl)-2-methoxy-phenol, TES. 17.beta.-16-oxo-Oestradiol, TFA.

Find more compounds similar to Benzenepropanenitrile, «alpha»,3-dichloro-2-methyl-.

Sources

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