Chemical Properties of Pyrrolidine (CAS 123-75-1)

Pyrrolidine

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InChI
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
InChI Key
RWRDLPDLKQPQOW-UHFFFAOYSA-N
Formula
C4H9N
SMILES
C1CCNC1
Molecular Weight1
71.12
CAS
123-75-1
Other Names
  • Azacyclopentane
  • Azolidine
  • Butylenimine
  • NSC 62781
  • Perhydropyrrole
  • Prolamine
  • Pyrrole, tetrahydro-
  • Pyrrolidine ring
  • Tetrahydropyrrole
  • Tetramethylenimine
  • UN 1922
Sources

Physical Properties

Property Value Unit Source
PAff 948.30 kJ/mol NIST
BasG 915.30 kJ/mol NIST
Δcliquid -2819.30 ± 0.84 kJ/mol NIST
Δcliquid -2819.20 ± 0.75 kJ/mol NIST
Δf 114.77 kJ/mol Joback Calculated Property
Δfgas -3.40 ± 0.96 kJ/mol NIST
Δfgas -3.60 ± 0.92 kJ/mol NIST
Δfliquid -41.00 ± 0.84 kJ/mol NIST
Δfliquid -41.20 ± 0.84 kJ/mol NIST
Δfus 8.57 kJ/mol Joback Calculated Property
Δvap [37.52; 37.61] kJ/mol Show Hide
Δvap 37.52 kJ/mol NIST
Δvap 37.61 ± 0.10 kJ/mol NIST
Δvap 37.60 kJ/mol NIST
Δvap 37.57 ± 0.06 kJ/mol NIST
Δvap 37.60 kJ/mol NIST
IE [8.41; 8.82] eV Show Hide
IE Outlier 8.41 eV NIST
IE 8.82 eV NIST
IE 8.77 ± 0.02 eV NIST
IE 8.77 ± 0.05 eV NIST
IE 8.82 ± 0.03 eV NIST
IE 8.77 ± 0.02 eV NIST
logPoct/wat 0.37 Crippen Calculated Property
Pc 5700.00 ± 103.40 kPa NIST
liquid 204.10 J/mol×K NIST
liquid 204.01 J/mol×K NIST
Tboil [358.65; 364.05] K Show Hide
Tboil 361.70 K NIST
Tboil 359.70 K NIST
Tboil 359.15 ± 1.50 K NIST
Tboil 359.65 ± 0.15 K NIST
Tboil 359.71 ± 0.20 K NIST
Tboil 359.64 ± 0.40 K NIST
Tboil Outlier 364.05 ± 0.50 K NIST
Tboil 358.65 ± 6.00 K NIST
Tc 568.60 K NIST
Tc 568.60 ± 0.40 K NIST
Tc 570.00 ± 2.50 K NIST
Tfus 211.95 ± 0.50 K NIST
Ttriple [215.24; 215.31] K Show Hide
Ttriple 215.31 ± 0.07 K NIST
Ttriple 215.24 ± 0.05 K NIST
Ttriple 215.31 ± 0.06 K NIST
Ttriple 215.30 ± 0.03 K NIST
Vc 0.25 ± 0.01 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 102.22 J/mol×K 359.42 Joback Calculated Property
Cp,liquid 160.20 J/mol×K 298.0 NIST
Cp,liquid 156.57 J/mol×K 298.15 NIST
Cp,liquid 156.57 J/mol×K 298.15 NIST
ΔfusH 0.54 kJ/mol 207.1 NIST
ΔfusH 8.58 kJ/mol 215.3 NIST
ΔvapH [33.00; 38.40] kJ/mol [293.00; 360.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 38.40 kJ/mol 293.0 NIST
ΔvapH 35.80 ± 0.10 kJ/mol 322.0 NIST
ΔvapH 37.30 kJ/mol 327.0 NIST
ΔvapH 34.50 ± 0.10 kJ/mol 340.0 NIST
ΔvapH 35.80 kJ/mol 355.0 NIST
ΔvapH 33.01 kJ/mol 359.7 NIST
ΔvapH 33.00 ± 0.10 kJ/mol 360.0 NIST
ΔfusS 2.61 J/mol×K 207.1 NIST
ΔfusS 39.84 J/mol×K 215.3 NIST

Molecular Descriptors

Joback and Reid Groups
>NH (ring) 1
-CH2- (ring) 4

Similar Compounds

1-Butanamine, N-methyl-. 1-Butanamine, n-ethyl-. 1-Propanamine, n-ethyl-. 1-Butanamine, N-butyl-. 1-Butanamine, n-propyl-. Dibutylamine hydrochloride. Pyrrolidine, n-methyl-, hydrochloride. Pyrrolidine, 1-methyl-. Piperidine hydrochloride. Piperidine. 1-Propanamine, n-propyl-. 1-Pentanamine, N-methyl-. 1-Butanamine, n,3-dimethyl-. Aziridine, 2-ethyl-. 1-Butanamine, N,N-dimethyl-.

Find more compounds similar to Pyrrolidine.

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