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

Pyrrolidine

PDF Excel Molecule Calculator
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
  • perhydroazole
  • tetrahydroazole
  • tetramethyleneimine
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.2740 KDB
PAff 948.30 kJ/mol NIST
BasG 915.30 kJ/mol NIST
Δcliquid [-2819.30; -2819.20] kJ/mol Show Hide
Δcliquid -2819.30 ± 0.84 kJ/mol NIST
Δcliquid -2819.20 ± 0.75 kJ/mol NIST
μ 1.60 debye KDB
Δf 114.80 kJ/mol KDB
Δfgas [-3.60; -3.40] kJ/mol Show Hide
Δfgas -3.60 kJ/mol KDB
Δfgas -3.40 ± 0.96 kJ/mol NIST
Δfgas -3.60 ± 0.92 kJ/mol NIST
Δfliquid [-41.20; -41.00] kJ/mol Show Hide
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
log10WS 1.15 Aq. Sol...
logPoct/wat 0.370 Crippen Calculated Property
McVol 66.340 ml/mol McGowan Calculated Property
Pc [5590.00; 5700.00] kPa Show Hide
Pc 5590.00 kPa KDB
Pc 5700.00 ± 103.40 kPa NIST
Inp [645.00; 695.00]   Show Hide
Inp 692.00 NIST
Inp 674.90 NIST
Inp 680.00 NIST
Inp 690.00 NIST
Inp Outlier 645.00 NIST
Inp 688.00 NIST
Inp 678.00 NIST
Inp 695.00 NIST
Inp 675.00 NIST
Inp 660.00 NIST
Inp 686.00 NIST
Inp 671.00 NIST
Inp 671.00 NIST
Inp 695.00 NIST
Inp 695.00 NIST
Inp 695.00 NIST
Inp 695.00 NIST
I [994.00; 1047.00]   Show Hide
I 1008.00 NIST
I 1038.00 NIST
I 1040.00 NIST
I 999.00 NIST
I 1047.00 NIST
I 994.00 NIST
I 995.00 NIST
I 1020.00 NIST
I 1031.00 NIST
I 1032.00 NIST
I 1034.00 NIST
I 1006.00 NIST
I 1003.00 NIST
I 1022.00 NIST
I 1020.00 NIST
liquid [204.01; 204.10] J/mol×K Show Hide
liquid 204.10 J/mol×K NIST
liquid 204.01 J/mol×K NIST
Tboil [359.40; 359.71] K Show Hide
Tboil 359.71 K KDB
Tboil 359.40 K Evoluti...
Tc [568.20; 570.00] K Show Hide
Tc 568.20 K KDB
Tc 568.60 K NIST
Tc 568.60 ± 0.40 K NIST
Tc 570.00 ± 2.50 K NIST
Tfus [211.95; 215.31] K Show Hide
Tfus 215.31 K KDB
Tfus 212.88 K Aq. Sol...
Tfus 211.95 ± 0.50 K NIST
Ttriple [215.24; 215.31] K Show Hide
Ttriple 215.30 K KDB
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 [0.238; 0.249] m3/kmol Show Hide
Vc 0.238 m3/kmol KDB
Vc 0.249 ± 0.005 m3/kmol NIST
Zc 0.2816120 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [102.22; 161.19] J/mol×K [359.42; 568.40] Show Hide
Cp,gas 102.22 J/mol×K 359.42 Joback Calculated Property
Cp,gas 113.40 J/mol×K 394.25 Joback Calculated Property
Cp,gas 124.01 J/mol×K 429.08 Joback Calculated Property
Cp,gas 134.07 J/mol×K 463.91 Joback Calculated Property
Cp,gas 143.61 J/mol×K 498.74 Joback Calculated Property
Cp,gas 152.65 J/mol×K 533.57 Joback Calculated Property
Cp,gas 161.19 J/mol×K 568.40 Joback Calculated Property
Cp,liquid [156.57; 160.20] J/mol×K [298.00; 298.15] Show Hide
Cp,liquid 160.20 J/mol×K 298.00 NIST
Cp,liquid 156.57 J/mol×K 298.15 NIST
Cp,liquid 156.57 J/mol×K 298.15 NIST
ΔfusH [0.54; 8.58] kJ/mol [207.10; 215.30] Show Hide
ΔfusH 0.54 kJ/mol 207.10 NIST
ΔfusH 8.58 kJ/mol 215.30 NIST
ΔfusH 8.58 kJ/mol 215.30 NIST
ΔvapH [33.00; 38.40] kJ/mol [293.00; 360.00] Show Hide
ΔvapH 38.40 kJ/mol 293.00 NIST
ΔvapH 35.80 ± 0.10 kJ/mol 322.00 NIST
ΔvapH 37.30 kJ/mol 327.00 NIST
ΔvapH 34.50 ± 0.10 kJ/mol 340.00 NIST
ΔvapH 35.80 kJ/mol 355.00 NIST
ΔvapH 33.09 kJ/mol 359.00 KDB
ΔvapH 33.01 kJ/mol 359.70 NIST
ΔvapH 33.00 ± 0.10 kJ/mol 360.00 NIST
ν [0.0000006; 0.0000010] m2/s [293.15; 323.15] Show Hide
ν 0.0000010 m2/s 293.15 Densiti...
ν 0.0000008 m2/s 303.15 Densiti...
ν 0.0000007 m2/s 313.15 Densiti...
ν 0.0000006 m2/s 323.15 Densiti...
Pvap [2.04; 101.33] kPa [273.16; 359.40] Show Hide
Pvap 2.04 kPa 273.16 Vapor P...
Pvap 3.86 kPa 283.73 Vapor P...
Pvap 4.98 kPa 288.23 Vapor P...
Pvap 6.50 kPa 293.10 Vapor P...
Pvap 6.52 kPa 293.25 Vapor P...
Pvap 8.46 kPa 298.15 Vapor P...
Pvap 10.87 kPa 303.25 Vapor P...
Pvap 13.59 kPa 307.93 Vapor P...
Pvap 17.54 kPa 313.46 Vapor P...
Pvap 19.99 kPa 316.90 Evoluti...
Pvap 26.66 kPa 323.40 Evoluti...
Pvap 33.33 kPa 329.00 Evoluti...
Pvap 46.66 kPa 337.60 Evoluti...
Pvap 66.66 kPa 347.50 Evoluti...
Pvap 86.66 kPa 354.90 Evoluti...
Pvap 101.33 kPa 359.40 Evoluti...
ρl [833.70; 854.60] kg/m3 [295.00; 323.15] Show Hide
ρl 852.00 kg/m3 295.00 KDB
ρl 854.60 kg/m3 298.15 Densiti...
ρl 833.70 kg/m3 323.15 Densiti...
ΔfusS [2.61; 39.84] J/mol×K [207.10; 215.30] Show Hide
ΔfusS 2.61 J/mol×K 207.10 NIST
ΔfusS 39.84 J/mol×K 215.30 NIST
csound,fluid [1263.00; 1389.40] m/s [293.00; 323.00] Show Hide
csound,fluid 1389.40 m/s 293.00 Speed o...
csound,fluid 1348.00 m/s 303.00 Speed o...
csound,fluid 1305.80 m/s 313.00 Speed o...
csound,fluid 1263.00 m/s 323.00 Speed o...
γ [0.03; 0.03] N/m [293.15; 323.15] Show Hide
γ 0.03 N/m 293.15 Surface...
γ 0.03 N/m 293.20 KDB
γ 0.03 N/m 298.15 Surface...
γ 0.03 N/m 298.15 Densiti...
γ 0.03 N/m 303.15 Surface...
γ 0.03 N/m 313.15 Surface...
γ 0.03 N/m 323.15 Surface...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [267.20; 383.05] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44189e+01
Coefficient B-2.96769e+03
Coefficient C-5.71920e+01
Temperature range, min.267.20
Temperature range, max.383.05
Pvap 1.33 kPa 267.20 Calculated Property
Pvap 3.02 kPa 280.07 Calculated Property
Pvap 6.24 kPa 292.94 Calculated Property
Pvap 11.97 kPa 305.82 Calculated Property
Pvap 21.54 kPa 318.69 Calculated Property
Pvap 36.69 kPa 331.56 Calculated Property
Pvap 59.57 kPa 344.43 Calculated Property
Pvap 92.79 kPa 357.31 Calculated Property
Pvap 139.36 kPa 370.18 Calculated Property
Pvap 202.67 kPa 383.05 Calculated Property
Pvap [0.01; 5630.66] kPa [215.31; 568.55] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.08983e+02
Coefficient B-8.21427e+03
Coefficient C-1.40875e+01
Coefficient D1.06991e-05
Temperature range, min.215.31
Temperature range, max.568.55
Pvap 0.01 kPa 215.31 Calculated Property
Pvap 0.53 kPa 254.56 Calculated Property
Pvap 6.63 kPa 293.81 Calculated Property
Pvap 39.74 kPa 333.06 Calculated Property
Pvap 149.80 kPa 372.31 Calculated Property
Pvap 415.98 kPa 411.55 Calculated Property
Pvap 941.31 kPa 450.80 Calculated Property
Pvap 1855.13 kPa 490.05 Calculated Property
Pvap 3332.01 kPa 529.30 Calculated Property
Pvap 5630.66 kPa 568.55 Calculated Property

Similar Compounds

1-Butanamine, N-butyl-. 1-Butanamine, N-methyl-. 1-Butanamine, N-ethyl-. 1-Butanamine, N-propyl-. Piperidine. (Butylamino)acetonitrile. 3-(Butylamino)propionitrile. Hexamethylenimine. 1-Pentanamine, N-pentyl-. n-Amyl-n-butyl amine. Azocine, octahydro-. 1-Pentanamine, N-methyl-. azacyclotridecane. octamethylenimine. 1-Pentanamine, N-ethyl-.

Find more compounds similar to Pyrrolidine.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.