Chemical Properties of Butanenitrile, 2-methyl- (CAS 18936-17-9)

Butanenitrile, 2-methyl-

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InChI
InChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3
InChI Key
RCEJCSULJQNRQQ-UHFFFAOYSA-N
Formula
C5H9N
SMILES
CCC(C)C#N
Molecular Weight1
83.13
CAS
18936-17-9
Other Names
  • 2-Cyanobutane
  • 2-Methylbutanenitrile
  • 2-Methylbutylnitrile
  • 2-Methylbutyronitrile
  • Butyronitrile, 2-methyl-
  • «alpha»-Methylbutyronitrile
  • «alpha»-Methylbutyronitrile

Physical Properties

Property Value Unit Source
Δcliquid -3213.80 ± 1.40 kJ/mol NIST
Δf 121.96 kJ/mol Joback Calculated Property
Δfgas 2.40 ± 1.40 kJ/mol NIST
Δfliquid -40.03 kJ/mol NIST
Δfus 6.69 kJ/mol Joback Calculated Property
Δvap [40.60; 42.47] kJ/mol Show Hide
Δvap 42.47 ± 0.29 kJ/mol NIST
Δvap 42.40 kJ/mol NIST
Δvap 40.60 ± 0.06 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 [717.00; 729.00]   Show Hide
Inp 717.00 NIST
Inp 729.00 NIST
I [1091.00; 1094.00]   Show Hide
I 1094.00 NIST
I 1091.00 NIST
I 1091.00 NIST
Tboil [396.00; 400.00] K Show Hide
Tboil 398.20 K NIST
Tboil Outlier 396.00 ± 3.00 K NIST
Tboil 399.70 ± 3.00 K NIST
Tboil 398.00 ± 3.00 K NIST
Tboil 398.00 ± 1.00 K NIST
Tboil 397.00 ± 3.00 K NIST
Tboil 399.00 ± 0.50 K NIST
Tboil 400.00 ± 3.00 K NIST
Tboil 398.70 ± 3.00 K NIST
Tboil 398.00 ± 4.00 K NIST
Tc 610.63 K Joback Calculated Property
Tfus 196.10 K Joback Calculated Property
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 42.50 ± 0.30 kJ/mol 293.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [301.19; 422.55] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39063e+01
Coefficient B-2.82768e+03
Coefficient C-9.35540e+01
Temperature range, min.301.19
Temperature range, max.422.55
Pvap 1.33 kPa 301.19 Calculated Property
Pvap 3.06 kPa 314.67 Calculated Property
Pvap 6.38 kPa 328.16 Calculated Property
Pvap 12.29 kPa 341.64 Calculated Property
Pvap 22.11 kPa 355.13 Calculated Property
Pvap 37.56 kPa 368.61 Calculated Property
Pvap 60.73 kPa 382.10 Calculated Property
Pvap 94.06 kPa 395.58 Calculated Property
Pvap 140.34 kPa 409.07 Calculated Property
Pvap 202.63 kPa 422.55 Calculated Property

Similar Compounds

Pentanedinitrile, 2-methyl-. Butane, 2-methyl-. Hexanenitrile, 2-methyl. 3-methylbutyl radical. Cyclobutanecarbonitrile. 3-Methylpentanenitrile. Isoamyl cyanide. 1,22,26-Trimethyl-octacosyl cyanide. Butanenitrile, 3-methyl-. Pentane, 3-methyl-. Hexanenitrile, 5-methyl-. Cyclohexanecarbonitrile. Pentane, 2-methyl-. Cycloheptyl cyanide. trans-1,4-Cyclohexanedicarbonitrile.

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

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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