Chemical Properties of Butanenitrile, 3-methyl- (CAS 625-28-5)

Butanenitrile, 3-methyl-

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

InChI
InChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3
InChI Key
QHDRKFYEGYYIIK-UHFFFAOYSA-N
Formula
C5H9N
SMILES
CC(C)CC#N
Molecular Weight1
83.13
CAS
625-28-5
Other Names
  • Isovaleronitrile
  • Butyronitrile, 3-methyl-
  • Isoamylnitrile
  • Isopentane nitrile
  • 3-Methylbutyronitrile
  • iso-C4H9CN
  • Isobutyl cyanide
  • 2-Methylbutane secondary mononitrile
  • 3-Methylbutylnitrile
  • NSC 148363
  • 1-Cyano-2-methylpropane
  • 3-Methylbutanenitrile

Physical Properties

Property Value Unit Source
Δcliquid -3246.00 kJ/mol NIST
EA 0.01 ± 0.00 eV NIST
Δf 121.96 kJ/mol Joback Calculated Property
Δfgas 13.07 kJ/mol Joback Calculated Property
Δfus 6.69 kJ/mol Joback Calculated Property
Δvap [41.64; 41.69] kJ/mol Show Hide
Δvap 41.69 kJ/mol NIST
Δvap 41.64 ± 0.03 kJ/mol NIST
log10WS -1.54 Crippen Calculated Property
logPoct/wat 1.556 Crippen Calculated Property
McVol 82.690 ml/mol McGowan Calculated Property
Pc 3399.94 kPa Joback Calculated Property
Inp [689.00; 737.00]   Show Hide
Inp 730.40 NIST
Inp 689.00 NIST
Inp 737.00 NIST
Inp 731.00 NIST
Inp 730.40 NIST
I [1090.00; 1144.00]   Show Hide
I 1090.00 NIST
I 1134.00 NIST
I 1125.00 NIST
I 1120.00 NIST
I 1132.00 NIST
I 1120.00 NIST
I 1144.00 NIST
I 1144.00 NIST
I 1090.00 NIST
I 1132.00 NIST
Tboil [398.00; 403.70] K Show Hide
Tboil 400.60 K NIST
Tboil 402.70 ± 3.00 K NIST
Tboil 400.00 ± 3.00 K NIST
Tboil 401.70 ± 3.00 K NIST
Tboil Outlier 398.00 ± 5.00 K NIST
Tboil 402.00 ± 3.00 K NIST
Tboil 402.00 ± 3.00 K NIST
Tboil 403.70 ± 2.00 K NIST
Tboil 402.00 ± 3.00 K NIST
Tboil 401.00 ± 3.00 K NIST
Tc 610.63 K Joback Calculated Property
Tfus [172.30; 172.30] K Show Hide
Tfus 172.30 ± 0.30 K NIST
Tfus 172.30 ± 0.50 K NIST
Vc 0.336 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [152.89; 197.11] J/mol×K [415.44; 610.63] Show Hide
Cp,gas 152.89 J/mol×K 415.44 Joback Calculated Property
Cp,gas 161.10 J/mol×K 447.97 Joback Calculated Property
Cp,gas 168.97 J/mol×K 480.50 Joback Calculated Property
Cp,gas 176.49 J/mol×K 513.03 Joback Calculated Property
Cp,gas 183.69 J/mol×K 545.56 Joback Calculated Property
Cp,gas 190.56 J/mol×K 578.10 Joback Calculated Property
Cp,gas 197.11 J/mol×K 610.63 Joback Calculated Property
ΔvapH 35.10 kJ/mol 400.60 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 402.20 K 97.30 NIST

Similar Compounds

Butanenitrile, 2-methyl-. 3-Methylpentanenitrile. 3-methylbutyl radical. Butanenitrile. Butane, 2-methyl-. «alpha»-Chloroisovaleronitrile. Isoamyl cyanide. 1,2-dimethylpropyl radical. Butane, 2,3-dimethyl-. Hexanenitrile, 3-methyl-. Pentanedinitrile, 2-methyl-. Hexanenitrile, 5-methyl-. 1-Pentyne, 4-methyl-. 2,28-Dimethyl-triacontyl cyanide. 2-Hexyne, 5-methyl-.

Find more compounds similar to Butanenitrile, 3-methyl-.

Sources

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.