Chemical Properties of Isoamyl cyanide (CAS 542-54-1)

Isoamyl cyanide

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InChI
InChI=1S/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3
InChI Key
DUJMVKJJUANUMQ-UHFFFAOYSA-N
Formula
C6H11N
SMILES
CC(C)CCC#N
Molecular Weight1
97.16
CAS
542-54-1
Other Names
  • 3-Methylbutyl cyanide
  • 4-Methylpentanenitrile
  • 4-Methylpentanonitrile
  • 4-Methylvaleronitrile
  • ISO-CAPRONITRILE
  • Isoamylkyanid
  • Isocapronitrile
  • Isopentyl cyanide
  • NSC 6109
  • Pentanenitrile, 4-methyl-
  • Valeronitrile, 4-methyl-
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Physical Properties

Property Value Unit Source
Δf 130.38 kJ/mol Joback Calculated Property
Δfgas -7.57 kJ/mol Joback Calculated Property
Δfus 9.28 kJ/mol Joback Calculated Property
Δvap 39.04 kJ/mol Joback Calculated Property
log10WS -1.96 Crippen Calculated Property
logPoct/wat 1.946 Crippen Calculated Property
McVol 96.780 ml/mol McGowan Calculated Property
Pc 3049.04 kPa Joback Calculated Property
Inp [814.00; 860.00]   Show Hide
Inp 848.00 NIST
Inp 846.00 NIST
Inp 814.00 NIST
Inp 843.00 NIST
Inp 860.00 NIST
Inp 814.00 NIST
Inp 848.00 NIST
I 1253.00 NIST
Tboil 438.32 K Joback Calculated Property
Tc 631.63 K Joback Calculated Property
Tfus [222.05; 230.15] K Show Hide
Tfus 230.15 ± 5.00 K NIST
Tfus 222.05 ± 0.30 K NIST
Vc 0.392 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [189.99; 241.57] J/mol×K [438.32; 631.63] Show Hide
Cp,gas 189.99 J/mol×K 438.32 Joback Calculated Property
Cp,gas 199.58 J/mol×K 470.54 Joback Calculated Property
Cp,gas 208.77 J/mol×K 502.76 Joback Calculated Property
Cp,gas 217.55 J/mol×K 534.97 Joback Calculated Property
Cp,gas 225.93 J/mol×K 567.19 Joback Calculated Property
Cp,gas 233.94 J/mol×K 599.41 Joback Calculated Property
Cp,gas 241.57 J/mol×K 631.63 Joback Calculated Property
ΔvapH 35.70 kJ/mol 381.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [315.22; 445.15] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.51839e+01
Coefficient B-3.80337e+03
Coefficient C-5.98980e+01
Temperature range, min.315.22
Temperature range, max.445.15
Pvap 1.33 kPa 315.22 Calculated Property
Pvap 2.96 kPa 329.66 Calculated Property
Pvap 6.06 kPa 344.09 Calculated Property
Pvap 11.56 kPa 358.53 Calculated Property
Pvap 20.81 kPa 372.97 Calculated Property
Pvap 35.54 kPa 387.40 Calculated Property
Pvap 58.04 kPa 401.84 Calculated Property
Pvap 91.07 kPa 416.28 Calculated Property
Pvap 137.99 kPa 430.71 Calculated Property
Pvap 202.66 kPa 445.15 Calculated Property
Pvap [5.48; 114.37] kPa [332.15; 434.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.46352e+01
Coefficient B-4.29554e+03
Coefficient C-2.78476e-04
Coefficient D3.21228e-10
Temperature range, min.332.15
Temperature range, max.434.15
Pvap 5.48 kPa 332.15 Calculated Property
Pvap 8.40 kPa 343.48 Calculated Property
Pvap 12.52 kPa 354.82 Calculated Property
Pvap 18.21 kPa 366.15 Calculated Property
Pvap 25.90 kPa 377.48 Calculated Property
Pvap 36.08 kPa 388.82 Calculated Property
Pvap 49.34 kPa 400.15 Calculated Property
Pvap 66.31 kPa 411.48 Calculated Property
Pvap 87.73 kPa 422.82 Calculated Property
Pvap 114.37 kPa 434.15 Calculated Property

Similar Compounds

Hexanenitrile, 5-methyl-. Pentanedinitrile, 2-methyl-. 3-Methylpentanenitrile. Pentane, 2-methyl-. 18,22,26-Trimethyl-tritriacontyl cyanide. 20-Methyl-dotriacontyl cyanide. 18,22-Dimethyl-triacontyl cyanide. 18,22,26,30-Tetramethyl-tritriacontyl cyanide. 20,24,28-Trimethyl-tritriacontyl cyanide. 22,26-Dimethyl-hentriacontyl cyanide. 16,20,24-Trimethyl-tetratriacontyl cyanide. 20,24-Dimethyl-triacontyl cyanide. 22,26-Dimethyl-triacontyl cyanide. 16,20,24-Trimethyl-hentriacontyl cyanide. 20,24,28-Trimethyl-hentriacontyl cyanide.

Find more compounds similar to Isoamyl cyanide.

Sources

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