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
  • Dwumetylosulfotlenku
  • MALONIC ACID DINITRILE
  • Malonic dinitrile
  • Malonitrile
  • Malonodinitrile
  • Methane, dicyano-
  • Methylene cyanide
  • NSC 3769
  • Nitril kyseliny malonove
  • Rcra waste number U149
  • UN 2647
  • USAF A-4600
  • USAF KF-19
  • cyanoacetonitrile
  • dicyanomethane
  • malononitrile
  • methylenedinitrile

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 [0.43; 10.70] kJ/mol Show Hide
Δfus 10.70 kJ/mol Fusion ...
Δfus 0.43 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 305.04 K Fusion ...
Tfus 304.80 K KDB
Tfus 305.00 ± 2.00 K NIST
Tfus 304.00 ± 3.00 K NIST
Tfus Outlier 307.60 ± 0.60 K NIST
Tfus 304.65 ± 1.50 K NIST
Ttriple [260.90; 304.99] K Show Hide
Ttriple Outlier 260.90 K Fusion ...
Ttriple 294.24 K Fusion ...
Ttriple 303.64 K Fusion ...
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

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.

Sources

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