Chemical Properties of Pyrrolidine, 1-methyl- (CAS 120-94-5)

Pyrrolidine, 1-methyl-

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InChI
InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
InChI Key
AVFZOVWCLRSYKC-UHFFFAOYSA-N
Formula
C5H11N
SMILES
CN1CCCC1
Molecular Weight1
85.15
CAS
120-94-5
Other Names
  • 1-METHYLPYRROLIDINE
  • METHYLPYRROLIDINE
  • N-METHYLTETRAHYDROPYRROLE
  • N-Methylpyrrolidine
  • Pyrrolidine, N-methyl
  • Pyrrolidine,l-methyl-
  • pyrrolidine, N-methyl-
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Physical Properties

Property Value Unit Source
PAff 965.60 kJ/mol NIST
BasG 934.80 kJ/mol NIST
Δvap 34.20 ± 0.70 kJ/mol NIST
IE [8.41; 8.41] eV Show Hide
IE 8.41 ± 0.02 eV NIST
IE 8.41 ± 0.02 eV NIST
IE 8.41 ± 0.05 eV NIST
IE 8.41 ± 0.02 eV NIST
log10WS -0.38 Crippen Calculated Property
logPoct/wat 0.712 Crippen Calculated Property
McVol 80.430 ml/mol McGowan Calculated Property
Inp [651.00; 697.00]   Show Hide
Inp 680.00 NIST
Inp 651.00 NIST
Inp 654.00 NIST
Inp Outlier 697.00 NIST
Inp 680.00 NIST
Inp 673.00 NIST
Inp 674.00 NIST
Inp 662.00 NIST
Inp 665.00 NIST
Inp 673.00 NIST
Inp 674.00 NIST
I [839.00; 880.00]   Show Hide
I 849.00 NIST
I 865.00 NIST
I 870.00 NIST
I 847.00 NIST
I 844.00 NIST
I 880.00 NIST
I 865.00 NIST
I 839.00 NIST
I 861.00 NIST
Tboil [352.45; 353.70] K Show Hide
Tboil 353.70 K NIST
Tboil 352.50 ± 0.15 K NIST
Tboil 352.45 ± 0.50 K NIST
Tfus 179.15 ± 0.40 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 161.10 J/mol×K 298.00 NIST
ΔvapH [33.70; 35.00] kJ/mol [284.00; 294.00] Show Hide
ΔvapH 35.00 ± 0.70 kJ/mol 284.00 NIST
ΔvapH 33.70 kJ/mol 294.00 NIST
Pvap [3.90; 27.46] kPa [273.17; 314.75] Show Hide
Pvap 3.90 kPa 273.17 Vapor P...
Pvap 6.61 kPa 283.23 Vapor P...
Pvap 8.62 kPa 288.56 Vapor P...
Pvap 10.82 kPa 293.36 Vapor P...
Pvap 11.80 kPa 295.08 Vapor P...
Pvap 13.47 kPa 298.19 Vapor P...
Pvap 15.29 kPa 300.74 Vapor P...
Pvap 16.80 kPa 302.94 Vapor P...
Pvap 20.80 kPa 307.88 Vapor P...
Pvap 23.69 kPa 311.12 Vapor P...
Pvap 27.46 kPa 314.75 Vapor P...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [254.31; 378.61] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41909e+01
Coefficient B-3.05442e+03
Coefficient C-3.46200e+01
Temperature range, min.254.31
Temperature range, max.378.61
Pvap 1.33 kPa 254.31 Calculated Property
Pvap 3.03 kPa 268.12 Calculated Property
Pvap 6.30 kPa 281.93 Calculated Property
Pvap 12.11 kPa 295.74 Calculated Property
Pvap 21.79 kPa 309.55 Calculated Property
Pvap 37.06 kPa 323.37 Calculated Property
Pvap 60.07 kPa 337.18 Calculated Property
Pvap 93.34 kPa 350.99 Calculated Property
Pvap 139.78 kPa 364.80 Calculated Property
Pvap 202.66 kPa 378.61 Calculated Property
Pvap [1.56e-03; 4137.60] kPa [183.15; 550.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A5.59271e+01
Coefficient B-5.61155e+03
Coefficient C-6.11939e+00
Coefficient D4.02154e-06
Temperature range, min.183.15
Temperature range, max.550.00
Pvap 1.56e-03 kPa 183.15 Calculated Property
Pvap 0.13 kPa 223.91 Calculated Property
Pvap 2.39 kPa 264.67 Calculated Property
Pvap 18.47 kPa 305.43 Calculated Property
Pvap 83.07 kPa 346.19 Calculated Property
Pvap 261.43 kPa 386.96 Calculated Property
Pvap 644.75 kPa 427.72 Calculated Property
Pvap 1339.77 kPa 468.48 Calculated Property
Pvap 2462.10 kPa 509.24 Calculated Property
Pvap 4137.60 kPa 550.00 Calculated Property

Similar Compounds

Pyrrolidine, 1-ethyl-. 1-Butanamine, N-butyl-N-methyl-. 1-Butanamine, N,N-dimethyl-. Pyrrolidine, 1-propyl-. 1-Butanamine, N-ethyl-N-methyl-. Butylamine, N-methyl-N-propyl-. 1-Butylpyrrolidine. 1,4-Butanediamine, N,N,N',N'-tetramethyl-. Tributylamine. 1-Butanamine, N,N-diethyl-. Ethyl di-N-butylamine. N-Butyl-N-propyl-1-butanamine. 1-Butanamine, N,N-dipropyl-. 1-Pyrrolidinylacetonitrile. 1-Pyrrolidinecarbonitrile.

Find more compounds similar to Pyrrolidine, 1-methyl-.

Sources

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