Chemical Properties of Acetonitrile (CAS 75-05-8)

Acetonitrile

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C2H3N/c1-2-3/h1H3
InChI Key
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Formula
C2H3N
SMILES
CC#N
Molecular Weight1
41.05
CAS
75-05-8
Other Names
  • Acetonitril
  • CH3CN
  • Cyanomethane
  • Cyanure de methyl
  • Ethanenitrile
  • Ethanonitrile
  • Ethyl nitrile
  • Methane, cyano-
  • Methanecarbonitrile
  • Methyl cyanide
  • Methylkyanid
  • NA 1648
  • NCI-C60822
  • Rcra waste number U003
  • UN 1648
  • USAF EK-488
Sources

Physical Properties

Property Value Unit Source
PAff 779.20 kJ/mol NIST
PAff 787.40 ± 5.90 kJ/mol NIST
BasG 748.00 kJ/mol NIST
Δcliquid -1256.33 ± 0.30 kJ/mol NIST
Δcliquid -1247.20 ± 7.20 kJ/mol NIST
Δcliquid -1270.00 kJ/mol NIST
EA 0.01 eV NIST
EA 0.00 ± 0.01 eV NIST
EA 0.01 eV NIST
Δf 99.14 kJ/mol Joback Calculated Property
Δfgas 74.04 ± 0.37 kJ/mol NIST
Δfgas 65.86 kJ/mol NIST
Δfliquid 40.56 ± 0.40 kJ/mol NIST
Δfliquid 31.40 kJ/mol NIST
Δfus 2.44 kJ/mol Joback Calculated Property
Δvap [32.94; 33.45] kJ/mol Show Hide
Δvap 33.40 kJ/mol NIST
Δvap 33.00 kJ/mol NIST
Δvap 33.45 ± 0.21 kJ/mol NIST
Δvap 33.00 kJ/mol NIST
Δvap 32.94 ± 0.06 kJ/mol NIST
IE [12.12; 16.98] eV Show Hide
IE 12.20 ± 0.01 eV NIST
IE 12.20 ± 0.00 eV NIST
IE 12.38 ± 0.04 eV NIST
IE 12.30 ± 0.25 eV NIST
IE 12.33 ± 0.08 eV NIST
IE 12.19 ± 0.01 eV NIST
IE 12.21 eV NIST
IE 12.20 ± 0.01 eV NIST
IE 13.14 eV NIST
IE 15.11 eV NIST
IE 12.12 eV NIST
IE 13.11 eV NIST
IE 15.12 eV NIST
IE Outlier 16.98 eV NIST
IE 12.19 ± 0.01 eV NIST
IE 12.23 ± 0.05 eV NIST
IE 12.21 ± 0.00 eV NIST
IE 12.22 ± 0.01 eV NIST
IE 12.46 eV NIST
IE 12.20 eV NIST
logPoct/wat 0.53 Crippen Calculated Property
Pc [4830.00; 4934.00] kPa Show Hide
Pc 4890.00 ± 10.00 kPa NIST
Pc 4830.00 ± 20.00 kPa NIST
Pc 4830.00 ± 20.00 kPa NIST
Pc 4934.00 ± 20.00 kPa NIST
Pc 4934.00 ± 3.00 kPa NIST
Pc 4934.00 ± 3.00 kPa NIST
Pc 4830.00 ± 81.06 kPa NIST
Pc 4833.20 ± 81.06 kPa NIST
Pc 4833.20 ± 81.06 kPa NIST
liquid 149.62 J/mol×K NIST
Tboil [351.00; 370.55] K Show Hide
Tboil 354.75 ± 0.20 K NIST
Tboil 354.80 K NIST
Tboil 354.25 ± 0.30 K NIST
Tboil 355.00 K NIST
Tboil 354.60 ± 0.30 K NIST
Tboil 354.25 ± 0.50 K NIST
Tboil Outlier 370.55 ± 0.10 K NIST
Tboil 354.70 K NIST
Tboil 354.75 ± 0.50 K NIST
Tboil 354.70 K NIST
Tboil 354.80 ± 0.40 K NIST
Tboil 354.80 ± 0.50 K NIST
Tboil 354.75 ± 0.20 K NIST
Tboil 354.80 ± 0.30 K NIST
Tboil 354.75 K NIST
Tboil 354.45 ± 0.50 K NIST
Tboil 354.65 ± 0.50 K NIST
Tboil 354.80 ± 0.30 K NIST
Tboil 355.00 ± 0.50 K NIST
Tboil 351.00 ± 3.00 K NIST
Tboil 354.71 ± 0.20 K NIST
Tboil 354.35 ± 0.50 K NIST
Tboil 354.70 ± 2.00 K NIST
Tboil 355.00 ± 1.50 K NIST
Tboil 354.72 ± 0.10 K NIST
Tboil 355.00 ± 2.00 K NIST
Tboil 355.00 ± 0.50 K NIST
Tboil 354.90 ± 0.30 K NIST
Tboil 354.70 ± 2.00 K NIST
Tboil 355.15 ± 1.50 K NIST
Tboil 354.80 ± 0.50 K NIST
Tboil 354.00 ± 2.00 K NIST
Tboil 355.00 ± 2.00 K NIST
Tboil 354.90 ± 0.70 K NIST
Tboil 353.00 ± 2.00 K NIST
Tboil 355.00 ± 2.00 K NIST
Tboil 353.90 ± 1.50 K NIST
Tboil 354.80 ± 0.30 K NIST
Tboil 354.80 ± 0.30 K NIST
Tboil 354.90 ± 0.20 K NIST
Tboil 354.80 ± 0.30 K NIST
Tboil 354.80 ± 0.60 K NIST
Tboil 354.80 ± 0.40 K NIST
Tboil 354.75 ± 0.30 K NIST
Tboil 354.95 ± 1.50 K NIST
Tboil 354.75 ± 0.30 K NIST
Tboil 354.70 ± 0.40 K NIST
Tboil 354.75 ± 0.20 K NIST
Tboil 355.00 ± 1.50 K NIST
Tboil 354.69 ± 0.30 K NIST
Tboil 354.90 ± 0.60 K NIST
Tboil 354.69 ± 0.50 K NIST
Tc [543.15; 545.50] K Show Hide
Tc 545.50 ± 0.20 K NIST
Tc 545.50 ± 0.30 K NIST
Tc 545.50 ± 0.30 K NIST
Tc 544.99 ± 0.20 K NIST
Tc 544.99 ± 0.20 K NIST
Tc 544.99 ± 0.20 K NIST
Tc 543.20 ± 2.00 K NIST
Tc 543.45 ± 1.00 K NIST
Tc 543.15 ± 1.00 K NIST
Tfus [227.43; 229.28] K Show Hide
Tfus 229.28 ± 0.01 K NIST
Tfus 228.20 K NIST
Tfus 228.70 ± 0.20 K NIST
Tfus 227.45 K NIST
Tfus 228.30 ± 0.60 K NIST
Tfus 227.43 ± 0.10 K NIST
Tfus 228.30 ± 0.60 K NIST
Tfus 227.95 ± 0.50 K NIST
Tfus 229.15 ± 1.00 K NIST
Tfus 228.00 ± 2.00 K NIST
Tfus 229.15 ± 1.00 K NIST
Tfus 228.25 ± 0.20 K NIST
Tfus 228.25 ± 0.30 K NIST
Tfus 228.30 ± 0.40 K NIST
Tfus 229.00 ± 2.00 K NIST
Ttriple 229.32 ± 0.02 K NIST
Vc 0.17 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 56.48 J/mol×K 347.24 Joback Calculated Property
Cp,liquid [77.40; 91.70] J/mol×K [297.00; 303.15] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 82.50 J/mol×K 297.0 NIST
Cp,liquid 91.69 J/mol×K 298.15 NIST
Cp,liquid 77.40 J/mol×K 298.15 NIST
Cp,liquid 91.70 J/mol×K 298.15 NIST
Cp,liquid 91.70 J/mol×K 298.15 NIST
Cp,liquid 91.70 J/mol×K 298.15 NIST
Cp,liquid 91.46 J/mol×K 298.15 NIST
Cp,liquid 81.80 J/mol×K 303.15 NIST
ΔfusH 8.17 kJ/mol 229.3 NIST
ΔvapH [29.75; 34.80] kJ/mol [8.24; 354.70] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 34.50 kJ/mol 8.24 NIST
ΔvapH 33.90 kJ/mol 290.0 NIST
ΔvapH 34.20 kJ/mol 298.0 NIST
ΔvapH 33.23 kJ/mol 298.15 NIST
ΔvapH 34.80 kJ/mol 321.0 NIST
ΔvapH 33.80 kJ/mol 325.0 NIST
ΔvapH 33.30 kJ/mol 334.5 NIST
ΔvapH 29.75 kJ/mol 354.7 NIST
ΔvapS 111.44 J/mol×K 298.15 NIST

Molecular Descriptors

Joback and Reid Groups
-CN 1
-CH3 1

Similar Compounds

Methylidyne, cyano-. Cyanomethylene. Cyanomethyl radical. Cyanogen. 1-Cyanoethyl radical. 2-Cyanoethyl radical. Propanenitrile. Acetonitrile, chloro-. Acetonitrile, bromo-. Acetonitrile, hydroxy-. Iodoacetonitrile. Propiolonitrile. Malononitrile. NCCH2NH2. 2-Propenenitrile.

Find more compounds similar to Acetonitrile.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.