Chemical Properties of 3-Methylpentanenitrile (CAS 21101-88-2)

3-Methylpentanenitrile

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InChI
InChI=1S/C6H11N/c1-3-6(2)4-5-7/h6H,3-4H2,1-2H3
InChI Key
MMRQLDRBAXLMRH-UHFFFAOYSA-N
Formula
C6H11N
SMILES
CCC(C)CC#N
Molecular Weight1
97.16
CAS
21101-88-2
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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
I [1241.00; 1241.00]   Show Hide
I 1241.00 NIST
I 1241.00 NIST
Tboil 438.32 K Joback Calculated Property
Tc 631.63 K Joback Calculated Property
Tfus 207.37 K Joback Calculated Property
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

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [314.42; 452.27] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45973e+01
Coefficient B-3.64611e+03
Coefficient C-5.96200e+01
Temperature range, min.314.42
Temperature range, max.452.27
Pvap 1.33 kPa 314.42 Calculated Property
Pvap 3.00 kPa 329.74 Calculated Property
Pvap 6.19 kPa 345.05 Calculated Property
Pvap 11.87 kPa 360.37 Calculated Property
Pvap 21.36 kPa 375.69 Calculated Property
Pvap 36.40 kPa 391.00 Calculated Property
Pvap 59.19 kPa 406.32 Calculated Property
Pvap 92.35 kPa 421.64 Calculated Property
Pvap 139.00 kPa 436.95 Calculated Property
Pvap 202.63 kPa 452.27 Calculated Property

Similar Compounds

Hexanenitrile, 3-methyl-. 2,28-Dimethyl-triacontyl cyanide. Isoamyl cyanide. Heptanenitrile, 3-ethyl-. Pentanedinitrile, 2-methyl-. 26-Methyl-octacosyl cyanide. 28-Methyl-triacontyl cyanide. 20,28-Dimethyl-triacontyl cyanide. 16,20-Dimethyl-dotriacontyl cyanide. 22,26-Dimethyl-triacontyl cyanide. 20,24,28-Trimethyl-tritriacontyl cyanide. 22,26-Dimethyl-dotriacontyl cyanide. 16,20,24-Trimethyl-hentriacontyl cyanide. 18,22,26-Trimethyl-dotriacontyl cyanide. 18,22-Dimethyl-dotriacontyl cyanide.

Find more compounds similar to 3-Methylpentanenitrile.

Sources

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