Chemical Properties of Benzyl nitrile (CAS 140-29-4)

Benzyl nitrile

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InChI
InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
InChI Key
SUSQOBVLVYHIEX-UHFFFAOYSA-N
Formula
C8H7N
SMILES
N#CCc1ccccc1
Molecular Weight1
117.15
CAS
140-29-4
Other Names
  • (Cyanomethyl)benzene
  • .alpha.-cyanotoluene
  • .alpha.-phenylacetonitrile
  • .alpha.-tolunitrile
  • .omega.-cyanotoluene
  • 2-Phenylacetonitrile
  • 2-Phenylethanenitrile
  • Acetonitrile, phenyl-
  • Benzeneacetonitrile
  • Benzyl cyanide
  • NSC 118418
  • Phenacetonitrile
  • Phenyl acetonitrile
  • Phenyl acetyl nitrile
  • Phenylacetonitrile
  • Toluene, «alpha»-cyano-
  • Toluene, «alpha»-cyano-
  • UN 2470
  • USAF KF-21
  • benzylnitrile
  • phenylethanenitrile
  • «alpha»-Cyanotoluene
  • «alpha»-Tolunitrile
  • «omega»-Cyanotoluene
  • «alpha»-Cyanotoluene
  • «alpha»-Tolunitrile
  • «omega»-Cyanotoluene
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Contents

  1. Physical Properties
  2. Temperature Dependent Properties
  3. Datasets
  4. Correlations
  5. Similar Compounds
  6. Mixtures
  7. Sources

Physical Properties

Property Value Unit Source
PAff 805.50 kJ/mol NIST
BasG 774.80 kJ/mol NIST
Δf 262.07 kJ/mol Joback Calculated Property
Δfgas 192.96 kJ/mol Joback Calculated Property
Δfus 12.02 kJ/mol Joback Calculated Property
Δvap 60.50 ± 0.70 kJ/mol NIST
IE [9.32; 9.50] eV Show Hide
IE 9.39 ± 0.07 eV NIST
IE 9.32 ± 0.05 eV NIST
IE 9.34 eV NIST
IE 9.50 ± 0.04 eV NIST
IE 9.40 ± 0.05 eV NIST
log10WS -2.14 Crippen Calculated Property
logPoct/wat 1.753 Crippen Calculated Property
McVol 101.200 ml/mol McGowan Calculated Property
Pc 3543.08 kPa Joback Calculated Property
Inp [1094.00; 1163.00]   Show Hide
Inp 1097.50 NIST
Inp 1097.00 NIST
Inp 1143.00 NIST
Inp 1160.00 NIST
Inp 1161.00 NIST
Inp 1140.00 NIST
Inp 1161.00 NIST
Inp 1137.00 NIST
Inp 1145.00 NIST
Inp 1148.00 NIST
Inp 1135.00 NIST
Inp 1103.00 NIST
Inp 1141.30 NIST
Inp 1122.00 NIST
Inp 1142.00 NIST
Inp 1144.00 NIST
Inp 1154.00 NIST
Inp 1143.00 NIST
Inp 1143.00 NIST
Inp 1112.00 NIST
Inp 1145.00 NIST
Inp 1144.00 NIST
Inp 1162.00 NIST
Inp 1149.00 NIST
Inp 1150.00 NIST
Inp 1098.00 NIST
Inp 1095.00 NIST
Inp 1163.00 NIST
Inp 1138.10 NIST
Inp 1104.00 NIST
Inp 1154.00 NIST
Inp 1095.00 NIST
Inp 1140.00 NIST
Inp 1150.00 NIST
Inp 1142.00 NIST
Inp 1111.00 NIST
Inp 1140.00 NIST
Inp 1150.00 NIST
Inp 1161.00 NIST
Inp 1137.00 NIST
Inp 1144.00 NIST
Inp 1108.00 NIST
Inp 1096.00 NIST
Inp 1094.00 NIST
Inp 1143.00 NIST
Inp 1160.00 NIST
Inp 1145.00 NIST
Inp 1140.00 NIST
Inp 1108.00 NIST
I [1871.00; 1957.00]   Show Hide
I 1938.00 NIST
I 1941.00 NIST
I 1890.00 NIST
I 1893.00 NIST
I 1902.00 NIST
I 1893.00 NIST
I 1919.00 NIST
I 1927.00 NIST
I 1877.00 NIST
I 1901.00 NIST
I 1931.00 NIST
I 1947.00 NIST
I 1896.00 NIST
I 1946.00 NIST
I 1950.00 NIST
I 1910.00 NIST
I 1871.00 NIST
I 1871.00 NIST
I 1871.00 NIST
I 1920.00 NIST
I 1907.00 NIST
I 1893.00 NIST
I 1957.00 NIST
I 1947.00 NIST
I 1957.00 NIST
I 1907.00 NIST
Tboil [501.20; 506.70] K Show Hide
Tboil 506.70 K NIST
Tboil 505.60 ± 0.60 K NIST
Tboil 506.00 ± 0.50 K NIST
Tboil 506.67 ± 0.30 K NIST
Tboil 506.65 ± 0.50 K NIST
Tboil Outlier 501.20 ± 3.00 K NIST
Tboil 506.65 ± 1.00 K NIST
Tc 742.87 K Joback Calculated Property
Tfus [250.71; 251.15] K Show Hide
Tfus 250.71 ± 0.30 K NIST
Tfus 251.15 ± 0.20 K NIST
Vc 0.402 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [201.73; 254.23] J/mol×K [511.20; 742.87] Show Hide
Cp,gas 201.73 J/mol×K 511.20 Joback Calculated Property
Cp,gas 212.16 J/mol×K 549.81 Joback Calculated Property
Cp,gas 221.87 J/mol×K 588.42 Joback Calculated Property
Cp,gas 230.90 J/mol×K 627.04 Joback Calculated Property
Cp,gas 239.28 J/mol×K 665.65 Joback Calculated Property
Cp,gas 247.04 J/mol×K 704.26 Joback Calculated Property
Cp,gas 254.23 J/mol×K 742.87 Joback Calculated Property
η [0.0014893; 0.0017613] Pa×s [303.15; 313.15] Show Hide
η 0.0017613 Pa×s 303.15 Volumet...
η 0.0016021 Pa×s 308.15 Volumet...
η 0.0014893 Pa×s 313.15 Volumet...
ΔvapH [54.80; 60.10] kJ/mol [305.50; 420.00] Show Hide
ΔvapH 60.10 ± 0.70 kJ/mol 305.50 NIST
ΔvapH 54.80 kJ/mol 420.00 NIST
ρl [999.50; 1008.83] kg/m3 [303.15; 313.15] Show Hide
ρl 1008.83 kg/m3 303.15 Excess ...
ρl 1008.80 kg/m3 303.15 Excess ...
ρl 1004.10 kg/m3 308.15 Excess ...
ρl 999.50 kg/m3 313.15 Excess ...

Datasets

  1. Viscosity, Pa*s (1)
  2. Mass density, kg/m3 (1)

Viscosity, Pa*s

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Viscosity, Pa*s - Liquid
308.15 101.30 0.0016
Reference

Mass density, kg/m3

Fixed Measured
Pressure, kPa - Liquid Temperature, K - Liquid Mass density, kg/m3 - Liquid
100.00 298.15 1012.89
Reference

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [375.15; 537.44] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.53354e+01
Coefficient B-4.87262e+03
Coefficient C-5.13390e+01
Temperature range, min.375.15
Temperature range, max.537.44
Pvap 1.33 kPa 375.15 Calculated Property
Pvap 2.95 kPa 393.18 Calculated Property
Pvap 6.02 kPa 411.21 Calculated Property
Pvap 11.49 kPa 429.25 Calculated Property
Pvap 20.67 kPa 447.28 Calculated Property
Pvap 35.34 kPa 465.31 Calculated Property
Pvap 57.76 kPa 483.34 Calculated Property
Pvap 90.76 kPa 501.38 Calculated Property
Pvap 137.73 kPa 519.41 Calculated Property
Pvap 202.65 kPa 537.44 Calculated Property
Pvap [1.56e-03; 1.56e-03] kPa [273.15; 273.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient C-1.15248e+00
Temperature range, min.273.15
Temperature range, max.273.15
Pvap 1.56e-03 kPa 273.15 Calculated Property
Pvap 1.56e-03 kPa 273.15 Calculated Property
Pvap 1.56e-03 kPa 273.15 Calculated Property
Pvap 1.56e-03 kPa 273.15 Calculated Property
Pvap 1.56e-03 kPa 273.15 Calculated Property
Pvap 1.56e-03 kPa 273.15 Calculated Property
Pvap 1.56e-03 kPa 273.15 Calculated Property
Pvap 1.56e-03 kPa 273.15 Calculated Property
Pvap 1.56e-03 kPa 273.15 Calculated Property
Pvap 1.56e-03 kPa 273.15 Calculated Property

Similar Compounds

1,4-Benzenediacetonitrile. Benzeneacetonitrile, 4-methyl-. 1,3-Benzenediacetonitrile. 3-Methylbenzyl cyanide. 2-Naphthylacetonitrile. Benzeneacetonitrile, 4-cyano-. 4-Iodophenylacetonitrile. Benzeneacetonitrile, 4-chloro-. Benzeneacetonitrile, 4-bromo-. Benzeneacetonitrile, 4-fluoro-. Acetonitrile, 2-(3-cyanophenyl)-. 4-(Trifluoromethyl)phenylacetonitrile. Benzeneacetonitrile, 3-chloro-. Malononitrile, phenyl-. 4-Ethylphenylacetonitrile.

Find more compounds similar to Benzyl nitrile.

Mixtures

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.