Chemical Properties of Butane, 1-isocyano- (CAS 2769-64-4)

Butane, 1-isocyano-

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InChI
InChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3
InChI Key
FSBLVBBRXSCOKU-UHFFFAOYSA-N
Formula
C5H9N
SMILES
[C-]#[N+]CCCC
Molecular Weight1
83.13
CAS
2769-64-4
Other Names
  • Butyl isocyanide
  • Butylisonitrile
  • n-Butyl isocyanide
  • n-C4H9NC
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Physical Properties

Property Value Unit Source
Δf 124.40 kJ/mol Joback Calculated Property
Δfgas 18.35 kJ/mol Joback Calculated Property
Δfus 10.21 kJ/mol Joback Calculated Property
Δvap 37.20 kJ/mol Joback Calculated Property
IE [11.10; 11.71] eV Show Hide
IE 11.71 ± 0.05 eV NIST
IE 11.10 eV NIST
log10WS -3.68 Crippen Calculated Property
logPoct/wat 1.706 Crippen Calculated Property
McVol 82.690 ml/mol McGowan Calculated Property
Pc 3368.44 kPa Joback Calculated Property
Tboil 415.88 K Joback Calculated Property
Tc 606.51 K Joback Calculated Property
Tfus 211.10 K Joback Calculated Property
Vc 0.342 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [152.81; 195.68] J/mol×K [415.88; 606.51] Show Hide
Cp,gas 152.81 J/mol×K 415.88 Joback Calculated Property
Cp,gas 160.74 J/mol×K 447.65 Joback Calculated Property
Cp,gas 168.35 J/mol×K 479.42 Joback Calculated Property
Cp,gas 175.64 J/mol×K 511.20 Joback Calculated Property
Cp,gas 182.62 J/mol×K 542.97 Joback Calculated Property
Cp,gas 189.29 J/mol×K 574.74 Joback Calculated Property
Cp,gas 195.68 J/mol×K 606.51 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [298.12; 412.00] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.61825e+01
Coefficient B-3.91686e+03
Coefficient C-5.16970e+01
Temperature range, min.298.12
Temperature range, max.412.00
Pvap 1.33 kPa 298.12 Calculated Property
Pvap 2.90 kPa 310.77 Calculated Property
Pvap 5.86 kPa 323.43 Calculated Property
Pvap 11.13 kPa 336.08 Calculated Property
Pvap 20.00 kPa 348.73 Calculated Property
Pvap 34.29 kPa 361.39 Calculated Property
Pvap 56.33 kPa 374.04 Calculated Property
Pvap 89.14 kPa 386.69 Calculated Property
Pvap 136.42 kPa 399.35 Calculated Property
Pvap 202.64 kPa 412.00 Calculated Property

Similar Compounds

Butane, 1-isothiocyanato-. Butane, 1-isocyanato-. 1-Butanamine. Propane, 1-isocyano-. Diazene, dibutyl. n-Pentyl isothiocyanate. trans-ethyl-butyl-diazene. 1-Azidopentane. Butane, 1-nitro-. 1-Butanamine, N-isopropylidene. 1,4-Butane diisothiocyanate. 1-Pentanamine. Hexane, 1-isothiocyanato-. Tetramethylene diisocyanate. Hexane, 1-isocyanato-.

Find more compounds similar to Butane, 1-isocyano-.

Sources

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