Chemical Properties of Propanenitrile, 2-methyl- (CAS 78-82-0)

Propanenitrile, 2-methyl-

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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
  • 1-Cyano-1-methylethane
  • 2-Cyanopropane
  • 2-Methylpropanenitrile
  • 2-Methylpropionitrile
  • Dimethylacetonitrile
  • Isopropyl cyanide
  • Isopropylkyanid
  • Isopropylnitrile
  • NSC 60536
  • Propanenitrile, 2-methyl-
  • UN 2284
  • iso-C3H7CN
  • «alpha»-Methylpropanenitrile
Sources

Physical Properties

Property Value Unit Source
PAff 803.60 kJ/mol NIST
BasG 772.80 kJ/mol NIST
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 kJ/mol NIST
Δfgas 24.30 ± 1.80 kJ/mol NIST
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 eV NIST
IE 11.74 eV NIST
IE 11.74 eV NIST
logPoct/wat 1.166 Crippen Calculated Property
Pc 3815.10 kPa Joback Calculated Property
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 ± 0.50 K NIST
Tfus 201.65 ± 0.50 K NIST
Vc 0.280 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 118.18 J/mol×K 392.56 Joback Calculated Property
Cp,liquid 156.20 J/mol×K 297.0 NIST
ΔvapH 37.50 kJ/mol 327.5 NIST
ΔvapH 35.90 kJ/mol 339.0 NIST
ΔvapH 32.39 kJ/mol 377.0 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CN 1
-CH3 2

Similar Compounds

1,1-Dicyanoethane. Propanenitrile, 2,2-dimethyl-. Propanenitrile. 1-Cyanoethyl radical. 2-Cyanoethyl radical. Butanenitrile, 2-methyl-. Malononitrile. Cyclopropanecarbonitrile. Propanedinitrile, dimethyl-. 3-Chloro-2-methylpropionitrile. Butanenitrile. Butanenitrile, 3-methyl-. .alpha.-Cyanopropionaldehyde. Propanenitrile, 2-hydroxy-2-methyl-. Succinonitrile.

Find more compounds similar to Propanenitrile, 2-methyl-.

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