Chemical Properties of 4-(CH2Cl)-C6H4-CN

4-(CH2Cl)-C6H4-CN

InChI
InChI=1S/C8H6ClN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key
LOQLDQJTSMKBJU-UHFFFAOYSA-N
Formula
C8H6ClN
SMILES
N#Cc1ccc(CCl)cc1
Molecular Weight1
151.60
Other Names
  • 3-Cyanobenzylchloride
  • 4-(chloromethyl)benzonitrile
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Physical Properties

Property Value Unit Source
ω 0.4412 Relay (1.0) Calculated Property
PAff 812.80 kJ/mol NIST
BasG 782.10 kJ/mol NIST
ΔfG° 240.51 kJ/mol Joback Calculated Property
ΔfH°gas 129.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 15.83 kJ/mol Joback Calculated Property
ΔvapH° 68.26 kJ/mol Relay (1.0) Calculated Property
IE 9.78 eV Relay (1.0) Calculated Property
log10WS -2.72 Relay (1.0) Calculated Property
logPoct/wat 2.297 Crippen Calculated Property
McVol 113.440 ml/mol McGowan Calculated Property
Pc 3333.53 kPa Joback Calculated Property
Tboil 527.16 K Relay (1.0) Calculated Property
Tc 771.90 K Relay (1.0) Calculated Property
Tfus 352.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [135.27; 295.24] 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 A5.90100e+00
Coefficient B5.67000e-01
Coefficient C-3.64960e-04
Coefficient D8.73000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 135.27 J/mol×K 273.00 Calculated Property
Cp,gas 164.68 J/mol×K 353.78 Calculated Property
Cp,gas 190.54 J/mol×K 434.56 Calculated Property
Cp,gas 213.12 J/mol×K 515.33 Calculated Property
Cp,gas 232.70 J/mol×K 596.11 Calculated Property
Cp,gas 249.56 J/mol×K 676.89 Calculated Property
Cp,gas 263.96 J/mol×K 757.67 Calculated Property
Cp,gas 276.19 J/mol×K 838.44 Calculated Property
Cp,gas 286.53 J/mol×K 919.22 Calculated Property
Cp,gas 295.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

[2H8]-1,4-Bis(chloromethyl)benzene. Benzene, 1,4-bis(chloromethyl)-. [2H9]-1-(Chloromethyl)-4-methylbenzene. Benzene, 1-(chloromethyl)-4-methyl-. Benzene, (chloromethyl)-. 4-Cyanobenzyl radical. Benzene, 1-(dichloromethyl)-4-methyl-. Benzonitrile, 4-methyl-. 4-(Chloromethyl)benzoyl chloride. 4-Trifluoromethylbenzyl chloride. Benzene, 1,4-bis(dichloromethyl)-. Benzene, 1-chloro-4-(chloromethyl)-. Benzene, 1-bromo-4-(chloromethyl)-. Benzene, 1-(chloromethyl)-4-fluoro-. Benzene, 1,3-bis(chloromethyl)-.

Find more compounds similar to 4-(CH2Cl)-C6H4-CN.

Sources

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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.
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