Chemical Properties of 3-Butenenitrile (CAS 109-75-1)

3-Butenenitrile

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InChI
InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
InChI Key
SJNALLRHIVGIBI-UHFFFAOYSA-N
Formula
C4H5N
SMILES
C=CCC#N
Molecular Weight1
67.09
CAS
109-75-1
Other Names
  • 1-Butene-4-nitrile
  • 3-Butenonitrile
  • 3-Butenylnitrile
  • 3-Cyano-1-propene
  • 3-Cyanopropene
  • ALLYL CYANIDE
  • ALLYLNITRILE
  • Acetonitrile, vinyl-
  • Allylkyanid
  • BETA-BUTENONITRILE
  • CH2=CHCH2CN
  • NSC 2583
  • Propene-3-nitrile
  • TL 350
  • VINYLACETONITRILE
  • but-3-enenitrile
  • «beta»-Butenonitrile
  • «beta»-Butenonitrile
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Physical Properties

Property Value Unit Source
Δcliquid [-2406.40; -2405.00] kJ/mol Show Hide
Δcliquid -2406.40 ± 1.10 kJ/mol NIST
Δcliquid -2405.00 kJ/mol NIST
Δf 203.82 kJ/mol Joback Calculated Property
Δfgas 157.70 kJ/mol NIST
Δfliquid 117.70 kJ/mol NIST
Δfus 6.34 kJ/mol Joback Calculated Property
Δvap [40.00; 40.09] kJ/mol Show Hide
Δvap 40.09 kJ/mol NIST
Δvap 40.00 kJ/mol NIST
Δvap 40.00 kJ/mol NIST
Δvap 40.00 kJ/mol NIST
IE [10.18; 10.55] eV Show Hide
IE 10.20 ± 0.02 eV NIST
IE 10.22 eV NIST
IE 10.18 eV NIST
IE 10.39 ± 0.01 eV NIST
IE 10.55 eV NIST
log10WS -1.22 Crippen Calculated Property
logPoct/wat 1.086 Crippen Calculated Property
McVol 64.300 ml/mol McGowan Calculated Property
Pc 3980.54 kPa Joback Calculated Property
Inp [611.00; 680.00]   Show Hide
Inp 673.00 NIST
Inp 680.00 NIST
Inp 625.20 NIST
Inp Outlier 611.00 NIST
Inp 658.00 NIST
Inp 658.00 NIST
Inp 658.00 NIST
Inp 656.00 NIST
Inp 655.00 NIST
Inp 658.00 NIST
Inp 656.00 NIST
I [1186.00; 1186.00]   Show Hide
I 1186.00 NIST
I 1186.00 NIST
I 1186.00 NIST
I 1186.00 NIST
I 1186.00 NIST
Tboil [391.00; 392.20] K Show Hide
Tboil 391.57 K KDB
Tboil 392.20 K NIST
Tboil 391.00 K NIST
Tboil 391.70 K NIST
Tc 586.11 K Joback Calculated Property
Tfus 198.07 K Joback Calculated Property
Vc 0.267 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [104.23; 134.04] J/mol×K [389.68; 586.11] Show Hide
Cp,gas 104.23 J/mol×K 389.68 Joback Calculated Property
Cp,gas 109.84 J/mol×K 422.42 Joback Calculated Property
Cp,gas 115.18 J/mol×K 455.16 Joback Calculated Property
Cp,gas 120.26 J/mol×K 487.89 Joback Calculated Property
Cp,gas 125.09 J/mol×K 520.63 Joback Calculated Property
Cp,gas 129.68 J/mol×K 553.37 Joback Calculated Property
Cp,gas 134.04 J/mol×K 586.11 Joback Calculated Property
ΔvapH [34.26; 41.60] kJ/mol [323.00; 391.70] Show Hide
ΔvapH 41.60 kJ/mol 323.00 NIST
ΔvapH 40.30 kJ/mol 355.00 NIST
ΔvapH 34.26 kJ/mol 391.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [286.72; 417.85] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49868e+01
Coefficient B-3.71208e+03
Coefficient C-3.41820e+01
Temperature range, min.286.72
Temperature range, max.417.85
Pvap 1.33 kPa 286.72 Calculated Property
Pvap 2.97 kPa 301.29 Calculated Property
Pvap 6.10 kPa 315.86 Calculated Property
Pvap 11.66 kPa 330.43 Calculated Property
Pvap 20.98 kPa 345.00 Calculated Property
Pvap 35.82 kPa 359.57 Calculated Property
Pvap 58.41 kPa 374.14 Calculated Property
Pvap 91.49 kPa 388.71 Calculated Property
Pvap 138.32 kPa 403.28 Calculated Property
Pvap 202.66 kPa 417.85 Calculated Property
Pvap [7.51e-05; 3758.48] kPa [186.15; 584.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.08663e+01
Coefficient B-6.61192e+03
Coefficient C-6.69232e+00
Coefficient D3.86050e-06
Temperature range, min.186.15
Temperature range, max.584.00
Pvap 7.51e-05 kPa 186.15 Calculated Property
Pvap 0.02 kPa 230.36 Calculated Property
Pvap 0.60 kPa 274.56 Calculated Property
Pvap 6.95 kPa 318.77 Calculated Property
Pvap 40.94 kPa 362.97 Calculated Property
Pvap 156.36 kPa 407.18 Calculated Property
Pvap 445.49 kPa 451.38 Calculated Property
Pvap 1034.95 kPa 495.59 Calculated Property
Pvap 2078.87 kPa 539.79 Calculated Property
Pvap 3758.48 kPa 584.00 Calculated Property

Similar Compounds

3-Pentenenitrile, (3E)-. 3-Pentenenitrile. But-3-en-1-yl radical. 3-Hexenedinitrile. 1,4-Pentadiene. 1-Butene. Allyl radical. Propene-d6. Propene. 1,6-Heptadien-3-yne. Pent-1-en-4-yn-3-yl radical. pent-4-enenitrile. 1-Methylcyclopropyl. CH3CHCH=CH2. 1,4-Pentadien-3-yl radical.

Find more compounds similar to 3-Butenenitrile.

Sources

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

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