Chemical Properties of 3-Hexenedinitrile (CAS 1119-85-3)

3-Hexenedinitrile

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InChI
InChI=1S/C6H6N2/c7-5-3-1-2-4-6-8/h1-2H,3-4H2/b2-1+
InChI Key
BSVZXPLUMFUWHW-OWOJBTEDSA-N
Formula
C6H6N2
SMILES
N#CCC=CCC#N
Molecular Weight1
106.13
CAS
1119-85-3
Other Names
  • 1,4-Dicyano butene-2
  • 1,4-Dicyano-2-butene
  • 1,4-Dicyano-2-butene,trans
  • hex-3-enedinitrile
  • trans-1,4-Dicyano-2-butene
  • «beta»-Hydromucononitrile
  • «beta»-Hydromucononitrile
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Physical Properties

Property Value Unit Source
Δf 346.22 kJ/mol Joback Calculated Property
Δfgas 279.81 kJ/mol Joback Calculated Property
Δfus 14.51 kJ/mol Joback Calculated Property
Δvap 49.86 kJ/mol Joback Calculated Property
log10WS -1.92 Crippen Calculated Property
logPoct/wat 1.370 Crippen Calculated Property
McVol 93.860 ml/mol McGowan Calculated Property
Pc 3114.04 kPa Joback Calculated Property
Tboil 545.00 K Joback Calculated Property
Tc 762.67 K Joback Calculated Property
Tfus 282.28 K Joback Calculated Property
Vc 0.404 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [188.83; 224.12] J/mol×K [545.00; 762.67] Show Hide
Cp,gas 188.83 J/mol×K 545.00 Joback Calculated Property
Cp,gas 195.67 J/mol×K 581.28 Joback Calculated Property
Cp,gas 202.08 J/mol×K 617.56 Joback Calculated Property
Cp,gas 208.11 J/mol×K 653.83 Joback Calculated Property
Cp,gas 213.78 J/mol×K 690.11 Joback Calculated Property
Cp,gas 219.10 J/mol×K 726.39 Joback Calculated Property
Cp,gas 224.12 J/mol×K 762.67 Joback Calculated Property
ΔvapH 49.40 kJ/mol 400.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.60] kPa [416.63; 470.69] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A3.52704e+01
Coefficient B-1.12773e+04
Coefficient C-9.42670e+01
Temperature range, min.416.63
Temperature range, max.470.69
Pvap 1.33 kPa 416.63 Calculated Property
Pvap 2.53 kPa 422.64 Calculated Property
Pvap 4.68 kPa 428.64 Calculated Property
Pvap 8.49 kPa 434.65 Calculated Property
Pvap 15.08 kPa 440.66 Calculated Property
Pvap 26.27 kPa 446.66 Calculated Property
Pvap 44.92 kPa 452.67 Calculated Property
Pvap 75.46 kPa 458.68 Calculated Property
Pvap 124.64 kPa 464.68 Calculated Property
Pvap 202.60 kPa 470.69 Calculated Property

Similar Compounds

3-Pentenenitrile, (3E)-. 3-Pentenenitrile. 3-Hexene. 3-Hexene, (E)-. 3-Hexene, (Z)-. 1,4-Cyclohexadiene. Pent-3-en-1-yl radical. (Z)-pent-2-enenitrile. 2-Pentenenitrile. (E)-2-Pentenenitrile. 3-Butenenitrile. 2-Pentene, (E)-. 2-Pentene. 2-Pentene, (Z)-. 1,4,7,10-Cyclododecatetraene.

Find more compounds similar to 3-Hexenedinitrile.

Sources

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