Chemical Properties of Proline (CAS 147-85-3)

Proline

PDF Excel Molecule Calculator
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
InChI Key
ONIBWKKTOPOVIA-SCSAIBSYSA-N
Formula
C5H9NO2
SMILES
O=C(O)C1CCCN1
Molecular Weight1
115.13
CAS
147-85-3
Other Names
  • (+)-(R)-proline
  • (-)-(S)-Proline
  • (R)-2-carboxypyrrolidine
  • (S)-2-PYRRALIDINECARBOXYLIC ACID
  • (S)-2-pyrrolidinecarboxylic acid
  • 2-Pyrrolidinecarboxylic acid
  • 2-Pyrrolidinecarboxylic acid, (S)-
  • D-proline
  • L-(-)-Proline
  • L-PROLINE
  • Proline, L-
  • R-proline
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
PAff [920.10; 938.90] kJ/mol Show Hide
PAff 920.50 kJ/mol NIST
PAff 925.90 ± 1.60 kJ/mol NIST
PAff 936.00 kJ/mol NIST
PAff 920.10 kJ/mol NIST
PAff 938.90 kJ/mol NIST
BasG [886.00; 895.70] kJ/mol Show Hide
BasG 886.00 kJ/mol NIST
BasG 895.70 ± 1.60 kJ/mol NIST
Δcsolid [-2746.20; -2738.60] kJ/mol Show Hide
Δcsolid -2746.20 ± 2.50 kJ/mol NIST
Δcsolid -2738.60 ± 0.40 kJ/mol NIST
Δf -150.26 kJ/mol Joback Calculated Property
Δfgas -366.20 ± 4.00 kJ/mol NIST
Δfsolid [-515.18; -507.60] kJ/mol Show Hide
Δfsolid -507.60 ± 2.60 kJ/mol NIST
Δfsolid -515.18 ± 0.52 kJ/mol NIST
Δfus 17.92 kJ/mol Joback Calculated Property
Δsub 149.00 ± 2.00 kJ/mol NIST
Δvap 57.16 kJ/mol Joback Calculated Property
IE [8.30; 9.36] eV Show Hide
IE 8.30 eV NIST
IE 9.36 eV NIST
IE 9.00 eV NIST
log10WS -0.21 Crippen Calculated Property
logPoct/wat -0.177 Crippen Calculated Property
McVol 87.870 ml/mol McGowan Calculated Property
Pc 5585.83 kPa Joback Calculated Property
solid,1 bar [164.06; 170.70] J/mol×K Show Hide
solid,1 bar 164.06 J/mol×K NIST
solid,1 bar 170.70 J/mol×K NIST
Tboil 523.68 K Joback Calculated Property
Tc 729.91 K Joback Calculated Property
Tfus 372.79 K Joback Calculated Property
Vc 0.319 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [201.66; 255.23] J/mol×K [523.68; 729.91] Show Hide
Cp,gas 201.66 J/mol×K 523.68 Joback Calculated Property
Cp,gas 211.92 J/mol×K 558.05 Joback Calculated Property
Cp,gas 221.63 J/mol×K 592.42 Joback Calculated Property
Cp,gas 230.81 J/mol×K 626.80 Joback Calculated Property
Cp,gas 239.45 J/mol×K 661.17 Joback Calculated Property
Cp,gas 247.59 J/mol×K 695.54 Joback Calculated Property
Cp,gas 255.23 J/mol×K 729.91 Joback Calculated Property
Cp,solid [149.12; 151.17] J/mol×K [298.15; 300.40] Show Hide
Cp,solid 150.40 J/mol×K 298.15 NIST
Cp,solid 151.17 J/mol×K 298.15 NIST
Cp,solid 149.12 J/mol×K 300.40 NIST
ΔsubH [96.70; 149.00] kJ/mol [400.00; 455.00] Show Hide
ΔsubH 149.00 ± 4.00 kJ/mol 400.00 NIST
ΔsubH 127.00 ± 1.00 kJ/mol 406.00 NIST
ΔsubH 96.70 ± 0.80 kJ/mol 455.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [9.52; 42.66] kPa [441.15; 466.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A3.00080e+01
Coefficient B-1.23246e+04
Coefficient C3.09086e-02
Coefficient D-2.47929e-08
Temperature range, min.441.15
Temperature range, max.466.15
Pvap 9.52 kPa 441.15 Calculated Property
Pvap 11.35 kPa 443.93 Calculated Property
Pvap 13.49 kPa 446.71 Calculated Property
Pvap 15.99 kPa 449.48 Calculated Property
Pvap 18.93 kPa 452.26 Calculated Property
Pvap 22.36 kPa 455.04 Calculated Property
Pvap 26.36 kPa 457.82 Calculated Property
Pvap 31.01 kPa 460.59 Calculated Property
Pvap 36.41 kPa 463.37 Calculated Property
Pvap 42.66 kPa 466.15 Calculated Property

Similar Compounds

dl-Proline. 2-Piperidinecarboxylic acid. Pro, methyl ester. Pro, isopropyl ester. l-Proline, trimethylsilyl ester. Pro, propyl ester. Hydroxyproline. L-Pyroglutamic acid. DL-Proline, 5-oxo-. Ethyl pipecolinate. 2-Piperidinecarboxylic acid, trimethylsilyl ester. N-Formyl-dl-leucine. L-Proline, 1-acetyl-. N-Acetyl-L-leucine. 1-Hydroxy-L-proline.

Find more compounds similar to Proline.

Mixtures

Find more mixtures with Proline.

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.