Chemical Properties of Propanedinitrile (CAS 109-77-3)

Propanedinitrile

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InChI
InChI=1S/C3H2N2/c4-2-1-3-5/h1H2
InChI Key
CUONGYYJJVDODC-UHFFFAOYSA-N
Formula
C3H2N2
SMILES
N#CCC#N
Molecular Weight1
66.06
CAS
109-77-3
Other Names
  • CH2(CN)2
  • CYANOACETONITRILE
  • Dicyanomethane
  • Dwumetylosulfotlenku
  • MALONIC ACID DINITRILE
  • MALONONITRILE
  • Malonic dinitrile
  • Malonitrile
  • Malonodinitrile
  • Methane, dicyano-
  • Methylene cyanide
  • Methylenedinitrile
  • NSC 3769
  • Nitril kyseliny malonove
  • Rcra waste number U149
  • UN 2647
  • USAF A-4600
  • USAF KF-19
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Physical Properties

Property Value Unit Source
PAff 723.00 kJ/mol NIST
BasG 694.10 kJ/mol NIST
Δcsolid [-1654.20; -1653.00] kJ/mol Show Hide
Δcsolid -1654.20 ± 0.20 kJ/mol NIST
Δcsolid -1653.00 ± 1.00 kJ/mol NIST
Δf 240.74 kJ/mol Joback Calculated Property
Δfgas [266.00; 266.30] kJ/mol Show Hide
Δfgas 266.30 ± 1.00 kJ/mol NIST
Δfgas 266.00 ± 2.00 kJ/mol NIST
Δfsolid [186.00; 187.90] kJ/mol Show Hide
Δfsolid 187.90 ± 0.20 kJ/mol NIST
Δfsolid 186.00 ± 1.00 kJ/mol NIST
Δfus 10.70 kJ/mol Fusion ...
Δsub [78.20; 80.00] kJ/mol Show Hide
Δsub 78.37 ± 0.96 kJ/mol NIST
Δsub 78.40 kJ/mol NIST
Δsub 78.20 ± 1.00 kJ/mol NIST
Δsub 79.10 ± 0.80 kJ/mol NIST
Δsub 80.00 kJ/mol NIST
Δvap 43.23 kJ/mol Joback Calculated Property
IE [12.70; 12.88] eV Show Hide
IE 12.80 ± 0.10 eV NIST
IE 12.70 eV NIST
IE 12.88 eV NIST
log10WS -0.81 Crippen Calculated Property
logPoct/wat 0.424 Crippen Calculated Property
McVol 55.890 ml/mol McGowan Calculated Property
Pc 4130.29 kPa Joback Calculated Property
Inp 801.00 NIST
solid,1 bar 130.96 J/mol×K NIST
Tboil [491.70; 493.20] K Show Hide
Tboil 493.20 K NIST
Tboil 491.70 K NIST
Tc 690.33 K Joback Calculated Property
Tfus [304.00; 307.60] K Show Hide
Tfus 304.80 K KDB
Tfus 305.00 ± 2.00 K NIST
Tfus 304.00 ± 3.00 K NIST
Tfus 307.60 ± 0.60 K NIST
Tfus 304.65 ± 1.50 K NIST
Ttriple [304.91; 304.99] K Show Hide
Ttriple 304.91 ± 0.06 K NIST
Ttriple 304.98 ± 0.02 K NIST
Ttriple 304.99 ± 0.02 K NIST
Vc 0.256 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [92.95; 110.54] J/mol×K [472.20; 690.33] Show Hide
Cp,gas 92.95 J/mol×K 472.20 Joback Calculated Property
Cp,gas 96.26 J/mol×K 508.56 Joback Calculated Property
Cp,gas 99.42 J/mol×K 544.91 Joback Calculated Property
Cp,gas 102.42 J/mol×K 581.27 Joback Calculated Property
Cp,gas 105.27 J/mol×K 617.62 Joback Calculated Property
Cp,gas 107.98 J/mol×K 653.98 Joback Calculated Property
Cp,gas 110.54 J/mol×K 690.33 Joback Calculated Property
Cp,solid 110.29 J/mol×K 298.15 NIST
ΔfusH [10.70; 10.80] kJ/mol [305.00; 305.00] Show Hide
ΔfusH 10.70 kJ/mol 305.00 NIST
ΔfusH 10.80 kJ/mol 305.00 NIST
ΔfusH 10.80 kJ/mol 305.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 382.20 K 2.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [363.09; 523.97] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.58259e+01
Coefficient B-5.23199e+03
Coefficient C-2.63730e+01
Temperature range, min.363.09
Temperature range, max.523.97
Pvap 1.33 kPa 363.09 Calculated Property
Pvap 2.92 kPa 380.97 Calculated Property
Pvap 5.92 kPa 398.84 Calculated Property
Pvap 11.27 kPa 416.72 Calculated Property
Pvap 20.27 kPa 434.59 Calculated Property
Pvap 34.71 kPa 452.47 Calculated Property
Pvap 56.90 kPa 470.34 Calculated Property
Pvap 89.79 kPa 488.22 Calculated Property
Pvap 136.94 kPa 506.09 Calculated Property
Pvap 202.63 kPa 523.97 Calculated Property

Similar Compounds

Cyanomethyl radical. 2-Cyanoethyl radical. Acetonitrile. 1-Cyanoethyl radical. Propanenitrile. Propanenitrile-25. HCCN radical. Chloromethyl cyanide. Iodoacetonitrile. Acetonitrile, bromo-. CHCH3. 1,1-Dicyanoethane. Butanedinitrile. Ethyl radical-1,1-d2. Ethyl radical.

Find more compounds similar to Propanedinitrile.

Mixtures

Sources

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