Chemical Properties of Cyclopropanecarbonitrile (CAS 5500-21-0)

Cyclopropanecarbonitrile

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InChI
InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2
InChI Key
AUQDITHEDVOTCU-UHFFFAOYSA-N
Formula
C4H5N
SMILES
N#CC1CC1
Molecular Weight1
67.09
CAS
5500-21-0
Other Names
  • Cyanocyclopropane
  • Cyclopropanecarboxylic acid nitrile
  • Cyclopropanenitrile
  • Cyclopropylnitrile
  • cyclopropyl cyanide

Physical Properties

Property Value Unit Source
PAff 808.20 kJ/mol NIST
BasG 777.50 kJ/mol NIST
Δcliquid [-2433.00; -2429.40] kJ/mol Show Hide
Δcliquid -2429.40 ± 0.71 kJ/mol NIST
Δcliquid -2433.00 kJ/mol NIST
Δf 176.73 kJ/mol Joback Calculated Property
Δfgas [180.60; 182.70] kJ/mol Show Hide
Δfgas 182.70 ± 0.70 kJ/mol NIST
Δfgas 180.60 kJ/mol NIST
Δfliquid 140.80 kJ/mol NIST
Δfus 5.76 kJ/mol Joback Calculated Property
Δvap [39.80; 41.97] kJ/mol Show Hide
Δvap 41.97 kJ/mol NIST
Δvap 41.94 ± 0.11 kJ/mol NIST
Δvap 41.90 ± 0.10 kJ/mol NIST
Δvap 39.80 ± 0.40 kJ/mol NIST
Δvap 39.80 kJ/mol NIST
Δvap 39.80 kJ/mol NIST
IE [10.25; 11.20] eV Show Hide
IE 10.25 eV NIST
IE 11.20 ± 0.20 eV NIST
log10WS -1.02 Crippen Calculated Property
logPoct/wat 0.920 Crippen Calculated Property
McVol 57.740 ml/mol McGowan Calculated Property
Pc 4462.28 kPa Joback Calculated Property
Inp [644.00; 684.00]   Show Hide
Inp 684.00 NIST
Inp 645.00 NIST
Inp 644.00 NIST
Inp 684.00 NIST
Tboil [404.90; 408.20] K Show Hide
Tboil 408.20 K NIST
Tboil 407.50 ± 0.50 K NIST
Tboil 408.20 K NIST
Tboil 404.90 ± 3.00 K NIST
Tc 609.13 K Joback Calculated Property
Tfus 217.77 K Joback Calculated Property
Vc 0.242 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [100.75; 139.13] J/mol×K [399.74; 609.13] Show Hide
Cp,gas 100.75 J/mol×K 399.74 Joback Calculated Property
Cp,gas 108.34 J/mol×K 434.64 Joback Calculated Property
Cp,gas 115.41 J/mol×K 469.54 Joback Calculated Property
Cp,gas 122.00 J/mol×K 504.44 Joback Calculated Property
Cp,gas 128.12 J/mol×K 539.33 Joback Calculated Property
Cp,gas 133.82 J/mol×K 574.23 Joback Calculated Property
Cp,gas 139.13 J/mol×K 609.13 Joback Calculated Property
Cp,liquid 115.40 J/mol×K 297.00 NIST
ΔvapH [35.55; 39.40] kJ/mol [350.50; 408.20] Show Hide
ΔvapH 39.40 kJ/mol 350.50 NIST
ΔvapH 35.55 kJ/mol 408.20 NIST
Pvap [35.20; 102.20] kPa [373.10; 408.15] Show Hide
Pvap 35.20 kPa 373.10 Phase E...
Pvap 102.20 kPa 408.15 Phase E...

Similar Compounds

Butanenitrile. Pentanedinitrile. Methylcyclopropane. Butanenitrile, 2-methyl-. Bicyclo[1.1.0]butane. Cyclopropylacetylene. 2-Methylcyclopropyl. Cyclobutanecarbonitrile. Isobutyronitrile. Cyclopropanecarboxaldehyde. Butanenitrile, 3-methyl-. Hexanedinitrile. Cyclopropanecarboxylic acid chloride. Butanenitrile, 4-bromo-. Pentanenitrile.

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