Chemical Properties of Propane, 1-isocyano- (CAS 627-36-1)

Propane, 1-isocyano-

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InChI
InChI=1S/C4H7N/c1-3-4-5-2/h3-4H2,1H3
InChI Key
FFDKYFGBIQQMSR-UHFFFAOYSA-N
Formula
C4H7N
SMILES
[C-]#[N+]CCC
Molecular Weight1
69.11
CAS
627-36-1
Other Names
  • Propyl isocyanide
  • Propylisonitrile
  • n-C3H7NC
  • n-Propyl isocyanide

Physical Properties

Property Value Unit Source
PAff 856.80 kJ/mol NIST
BasG 824.30 kJ/mol NIST
Δcliquid -2673.00 kJ/mol NIST
Δf 115.98 kJ/mol Joback Calculated Property
Δfgas 38.99 kJ/mol Joback Calculated Property
Δfus 7.62 kJ/mol Joback Calculated Property
Δvap 34.98 kJ/mol Joback Calculated Property
IE [11.10; 11.80] eV Show Hide
IE 11.80 ± 0.25 eV NIST
IE 11.33 eV NIST
IE 11.10 ± 0.10 eV NIST
log10WS -3.26 Crippen Calculated Property
logPoct/wat 1.316 Crippen Calculated Property
McVol 68.600 ml/mol McGowan Calculated Property
Pc 3777.68 kPa Joback Calculated Property
Tboil 393.00 K Joback Calculated Property
Tc 585.13 K Joback Calculated Property
Tfus 199.83 K Joback Calculated Property
Vc 0.285 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [118.15; 152.98] J/mol×K [393.00; 585.13] Show Hide
Cp,gas 118.15 J/mol×K 393.00 Joback Calculated Property
Cp,gas 124.57 J/mol×K 425.02 Joback Calculated Property
Cp,gas 130.74 J/mol×K 457.04 Joback Calculated Property
Cp,gas 136.66 J/mol×K 489.07 Joback Calculated Property
Cp,gas 142.33 J/mol×K 521.09 Joback Calculated Property
Cp,gas 147.77 J/mol×K 553.11 Joback Calculated Property
Cp,gas 152.98 J/mol×K 585.13 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [277.72; 420.21] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.35303e+01
Coefficient B-3.08704e+03
Coefficient C-4.46080e+01
Temperature range, min.277.72
Temperature range, max.420.21
Pvap 1.33 kPa 277.72 Calculated Property
Pvap 3.09 kPa 293.55 Calculated Property
Pvap 6.50 kPa 309.38 Calculated Property
Pvap 12.54 kPa 325.22 Calculated Property
Pvap 22.57 kPa 341.05 Calculated Property
Pvap 38.27 kPa 356.88 Calculated Property
Pvap 61.66 kPa 372.71 Calculated Property
Pvap 95.08 kPa 388.55 Calculated Property
Pvap 141.13 kPa 404.38 Calculated Property
Pvap 202.63 kPa 420.21 Calculated Property

Similar Compounds

Butane, 1-isocyano-. Propane, 1-isothiocyanato-. Propane, 1-isocyanato-. Propylamine. Dipropyl carbodiimide. Diazene, dipropyl. Dipropyldiazene, trans. Propane, 1-nitro-. trans-ethyl-propyl-diazene. N,N-Dimethyl-1-propanamine. Diazene, (1-methylethyl)-propyl. trans-2-propyl-propyl-diazene. 1,3-Propane diisothiocyanate. 1-Pyrazoline. 1,3-Propanediamine.

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

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