Chemical Properties of Isobutyronitrile (CAS 78-82-0)

Isobutyronitrile

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InChI
InChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3
InChI Key
LRDFRRGEGBBSRN-UHFFFAOYSA-N
Formula
C4H7N
SMILES
CC(C)C#N
Molecular Weight1
69.11
CAS
78-82-0
Other Names
  • Propanenitrile, 2-methyl-
  • Isopropyl cyanide
  • Isopropylnitrile
  • 1-Cyano-1-methylethane
  • 2-Cyanopropane
  • 2-Methylpropanenitrile
  • 2-Methylpropionitrile
  • iso-C3H7CN
  • Dimethylacetonitrile
  • Isopropylkyanid
  • UN 2284
  • «alpha»-Methylpropanenitrile
  • NSC 60536

Physical Properties

Property Value Unit Source
PAff 803.60 kJ/mol NIST
BasG 772.80 kJ/mol NIST
Δcliquid [-2562.30; -2560.60] kJ/mol Show Hide
Δcliquid -2560.60 ± 1.30 kJ/mol NIST
Δcliquid -2562.30 ± 0.75 kJ/mol NIST
EA 0.01 ± 0.00 eV NIST
Δf 113.54 kJ/mol Joback Calculated Property
Δfgas [22.80; 24.30] kJ/mol Show Hide
Δfgas 22.80 kJ/mol NIST
Δfgas 24.30 ± 1.80 kJ/mol NIST
Δfliquid [-13.80; -12.20] kJ/mol Show Hide
Δfliquid -13.80 kJ/mol NIST
Δfliquid -12.20 ± 0.84 kJ/mol NIST
Δfus 4.10 kJ/mol Joback Calculated Property
Δvap [36.50; 37.22] kJ/mol Show Hide
Δvap 37.22 kJ/mol NIST
Δvap 36.70 kJ/mol NIST
Δvap 36.60 kJ/mol NIST
Δvap 37.13 ± 0.02 kJ/mol NIST
Δvap 36.50 kJ/mol NIST
IE [11.30; 11.74] eV Show Hide
IE 11.30 eV NIST
IE 11.74 eV NIST
IE 11.74 eV NIST
log10WS -1.12 Crippen Calculated Property
logPoct/wat 1.166 Crippen Calculated Property
McVol 68.600 ml/mol McGowan Calculated Property
Pc 3815.10 kPa Joback Calculated Property
Inp [590.00; 643.00]   Show Hide
Inp 638.00 NIST
Inp 643.00 NIST
Inp 594.40 NIST
Inp 592.00 NIST
Inp 590.00 NIST
Inp 626.00 NIST
Inp 600.00 NIST
Inp 623.00 NIST
Inp 623.00 NIST
Inp 637.20 NIST
I [993.00; 1010.00]   Show Hide
I 993.00 NIST
I 1009.00 NIST
I 1010.00 NIST
Tboil [374.70; 382.00] K Show Hide
Tboil 380.70 K NIST
Tboil 377.00 K NIST
Tboil 374.70 ± 1.50 K NIST
Tboil 374.70 ± 1.00 K NIST
Tboil 376.00 ± 3.00 K NIST
Tboil 376.70 ± 7.00 K NIST
Tboil 374.70 ± 3.00 K NIST
Tboil 375.00 ± 3.00 K NIST
Tboil 376.70 ± 2.00 K NIST
Tboil 376.00 ± 3.00 K NIST
Tboil 382.00 ± 5.00 K NIST
Tboil 376.50 ± 3.00 K NIST
Tboil 376.90 ± 0.50 K NIST
Tboil 380.00 ± 5.00 K NIST
Tboil 377.00 ± 0.30 K NIST
Tboil 381.00 ± 4.00 K NIST
Tboil 380.70 ± 6.00 K NIST
Tboil 376.40 ± 2.00 K NIST
Tboil 381.00 ± 5.00 K NIST
Tc 589.40 K Joback Calculated Property
Tfus [201.65; 201.65] K Show Hide
Tfus 201.65 ± 0.50 K NIST
Tfus 201.65 ± 0.50 K NIST
Vc 0.280 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [118.18; 154.25] J/mol×K [392.56; 589.40] Show Hide
Cp,gas 118.18 J/mol×K 392.56 Joback Calculated Property
Cp,gas 124.86 J/mol×K 425.37 Joback Calculated Property
Cp,gas 131.27 J/mol×K 458.17 Joback Calculated Property
Cp,gas 137.40 J/mol×K 490.98 Joback Calculated Property
Cp,gas 143.27 J/mol×K 523.79 Joback Calculated Property
Cp,gas 148.89 J/mol×K 556.60 Joback Calculated Property
Cp,gas 154.25 J/mol×K 589.40 Joback Calculated Property
Cp,liquid 156.20 J/mol×K 297.00 NIST
ΔvapH [32.39; 37.50] kJ/mol [327.50; 377.00] Show Hide
ΔvapH 37.50 kJ/mol 327.50 NIST
ΔvapH 35.90 kJ/mol 339.00 NIST
ΔvapH 32.39 kJ/mol 377.00 NIST

Similar Compounds

1,1-Dicyanoethane. Isobutyl radical. i-C4H9. Isobutane. «alpha»-Cyanopropionaldehyde. 3-Chloro-2-methylpropionitrile. Propanenitrile, 2,2-dimethyl-. Propanedinitrile, dimethyl-. 1-Cyanoethyl radical. Isopropyl radical. Propane, 1-iodo-2-methyl-. Butanenitrile, 2-methyl-. Cyclopropanecarbonitrile. 1-Butyne, 3-methyl-. Butanenitrile, 3-methyl-.

Find more compounds similar to Isobutyronitrile.

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