Chemical Properties of Butanenitrile (CAS 109-74-0)

Butanenitrile

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InChI
InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3
InChI Key
KVNRLNFWIYMESJ-UHFFFAOYSA-N
Formula
C4H7N
SMILES
CCCC#N
Molecular Weight1
69.11
CAS
109-74-0
Other Names
  • 1-cyanopropane
  • 1-propanecarbonitrile
  • Butyric acid nitrile
  • Butyrylonitrile
  • NSC 8412
  • Propylkyanid
  • UN 2411
  • butanonitrile
  • butyronitrile
  • n-Butanenitrile
  • n-Butanitrile
  • n-Butyronitrile
  • n-C3H7CN
  • n-propyl cyanide
  • propyl cyanide

Physical Properties

Property Value Unit Source
ω 0.3730 KDB
PAff 798.40 kJ/mol NIST
BasG 767.70 kJ/mol NIST
Δcgas -2568.70 ± 0.92 kJ/mol NIST
Δcliquid -2579.00 kJ/mol NIST
μ 3.80 debye KDB
EA 0.02 ± 0.00 eV NIST
Δf 108.70 kJ/mol KDB
Δfgas [31.20; 34.10] kJ/mol Show Hide
Δfgas 34.10 kJ/mol KDB
Δfgas 31.20 kJ/mol NIST
Δfliquid -5.80 ± 1.00 kJ/mol NIST
Δfus 7.62 kJ/mol Joback Calculated Property
Δvap 34.98 kJ/mol Joback Calculated Property
IE [11.20; 11.80] eV Show Hide
IE 11.20 eV NIST
IE 11.80 ± 0.25 eV NIST
IE 11.67 ± 0.05 eV NIST
IE 11.74 eV NIST
IE 11.74 eV NIST
log10WS -1.36 Crippen Calculated Property
logPoct/wat 1.310 Crippen Calculated Property
McVol 68.600 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 3 KDB
Pc [3779.42; 3880.00] kPa Show Hide
Pc 3880.00 kPa KDB
Pc 3880.00 ± 10.00 kPa NIST
Pc 3790.00 ± 91.19 kPa NIST
Pc 3779.42 ± 81.06 kPa NIST
Pc 3779.42 ± 81.06 kPa NIST
Pc 3789.55 ± 81.06 kPa NIST
Pc 3799.69 ± 81.06 kPa NIST
Inp [619.00; 686.00]   Show Hide
Inp 638.86 NIST
Inp 639.74 NIST
Inp 640.72 NIST
Inp 641.67 NIST
Inp 642.74 NIST
Inp 643.90 NIST
Inp 645.19 NIST
Inp 646.43 NIST
Inp 647.77 NIST
Inp 649.23 NIST
Inp 635.94 NIST
Inp 635.87 NIST
Inp 635.97 NIST
Inp 636.14 NIST
Inp 636.54 NIST
Inp 636.93 NIST
Inp 637.50 NIST
Inp 638.14 NIST
Inp Outlier 686.00 NIST
Inp 638.10 NIST
Inp 624.00 NIST
Inp 622.00 NIST
Inp 642.00 NIST
Inp 640.00 NIST
Inp 633.00 NIST
Inp 619.00 NIST
Inp 641.00 NIST
Inp 640.00 NIST
Inp 640.00 NIST
Inp 640.00 NIST
Inp 641.00 NIST
Inp 643.00 NIST
Inp 638.00 NIST
Inp 646.00 NIST
Inp Outlier 680.00 NIST
Inp 642.00 NIST
Inp 642.00 NIST
Inp 641.00 NIST
Inp 643.00 NIST
Inp 638.86 NIST
Inp 643.90 NIST
Inp 635.94 NIST
Inp 636.93 NIST
Inp 624.00 NIST
Inp 619.00 NIST
Inp Outlier 680.00 NIST
I [1100.00; 1100.00]   Show Hide
I 1100.00 NIST
I 1100.00 NIST
Tboil [390.55; 390.70] K Show Hide
Tboil 390.55 ± 0.10 K Measure...
Tboil 390.70 K KDB
Tc [582.10; 585.40] K Show Hide
Tc 585.40 K KDB
Tc 585.40 ± 0.20 K NIST
Tc 582.10 ± 2.00 K NIST
Tc 582.25 ± 0.90 K NIST
Tc 582.15 ± 0.90 K NIST
Tfus [160.00; 161.25] K Show Hide
Tfus 161.20 K KDB
Tfus 161.25 ± 0.60 K NIST
Tfus 161.15 ± 0.50 K NIST
Tfus Outlier 160.00 ± 2.00 K NIST
Tfus 161.25 ± 0.50 K NIST
Tfus 160.90 ± 0.50 K NIST
Vc 0.285 m3/kmol KDB
Zc 0.2275880 KDB

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
Cp,liquid [134.20; 134.90] J/mol×K [298.15; 303.15] Show Hide
Cp,liquid 134.20 J/mol×K 298.15 NIST
Cp,liquid 134.90 J/mol×K 303.15 NIST
η [0.0005049; 0.0005463] Pa×s [298.15; 308.15] Show Hide
η 0.0005463 Pa×s 298.15 Molecul...
η 0.0005255 Pa×s 303.15 Molecul...
η 0.0005049 Pa×s 308.15 Molecul...
ΔvapH [33.68; 38.80] kJ/mol [366.50; 398.00] Show Hide
ΔvapH 37.70 kJ/mol 366.50 NIST
ΔvapH 34.39 kJ/mol 390.40 KDB
ΔvapH 33.68 kJ/mol 390.80 NIST
ΔvapH 38.80 kJ/mol 398.00 NIST
n0 1.38400 ± 0.00050 293.15 Measure...
ρl [762.93; 793.70] kg/m3 [293.00; 323.15] Show Hide
ρl 792.00 kg/m3 293.00 KDB
ρl 793.70 ± 0.10 kg/m3 293.15 Measure...
ρl 790.86 ± 0.03 kg/m3 293.15 Density...
ρl 786.27 kg/m3 298.15 Calorim...
ρl 786.25 ± 0.03 kg/m3 298.15 Density...
ρl 784.70 kg/m3 298.15 Molecul...
ρl 781.63 ± 0.03 kg/m3 303.15 Density...
ρl 780.30 kg/m3 303.15 Molecul...
ρl 775.90 kg/m3 308.15 Molecul...
ρl 776.99 ± 0.03 kg/m3 308.15 Density...
ρl 772.32 ± 0.03 kg/m3 313.15 Density...
ρl 767.64 ± 0.03 kg/m3 318.15 Density...
ρl 762.93 ± 0.03 kg/m3 323.15 Density...
csound,fluid [1233.90; 1271.40] m/s [298.15; 308.15] Show Hide
csound,fluid 1271.40 m/s 298.15 Molecul...
csound,fluid 1252.20 m/s 303.15 Molecul...
csound,fluid 1233.90 m/s 308.15 Molecul...
γ [0.03; 0.03] N/m [293.15; 313.15] Show Hide
γ 0.03 ± 0.00 N/m 293.15 Density...
γ 0.03 N/m 293.20 KDB
γ 0.03 ± 0.00 N/m 298.15 Density...
γ 0.03 ± 0.00 N/m 303.15 Density...
γ 0.03 ± 0.00 N/m 308.15 Density...
γ 0.03 ± 0.00 N/m 313.15 Density...

Similar Compounds

Pentanedinitrile. Pentanenitrile. 1-Butyl radical. Butane. 2-Butyl radical. Hexanenitrile. Butanenitrile, 3-methyl-. Heptanonitrile. Heptane nitrile. Tetradecanenitrile. Nonanenitrile. Pentadecanenitrile. Nonadecanenitrile. Octanenitrile. Tridecanenitrile.

Find more compounds similar to Butanenitrile.

Mixtures

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