- 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
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | [920.10; 938.90] | kJ/mol |
|
| 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 |
|
| BasG | 886.00 | kJ/mol | NIST |
| BasG | 895.70 ± 1.60 | kJ/mol | NIST |
| ΔcH°solid | [-2746.20; -2738.60] | kJ/mol |
|
| ΔcH°solid | -2746.20 ± 2.50 | kJ/mol | NIST |
| ΔcH°solid | -2738.60 ± 0.40 | kJ/mol | NIST |
| ΔfH°gas | -366.20 ± 4.00 | kJ/mol | NIST |
| ΔfH°solid | [-515.18; -507.60] | kJ/mol |
|
| ΔfH°solid | -507.60 ± 2.60 | kJ/mol | NIST |
| ΔfH°solid | -515.18 ± 0.52 | kJ/mol | NIST |
| ΔfusH° | 22.37 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 149.00 ± 2.00 | kJ/mol | NIST |
| IE | [8.30; 9.36] | eV |
|
| IE | 8.30 | eV | NIST |
| IE | 9.36 | eV | NIST |
| IE | 9.00 | eV | NIST |
| logPoct/wat | -0.177 | Crippen Calculated Property | |
| McVol | 87.870 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | [164.06; 170.70] | J/mol×K |
|
| S°solid,1 bar | 164.06 | J/mol×K | NIST |
| S°solid,1 bar | 170.70 | J/mol×K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.18; 262.75] | J/mol×K | [523.34; 752.40] |
|
| Cp,gas | 204.18 | J/mol×K | 523.34 | Joback Calculated Property |
| Cp,gas | 215.65 | J/mol×K | 561.52 | Joback Calculated Property |
| Cp,gas | 226.41 | J/mol×K | 599.69 | Joback Calculated Property |
| Cp,gas | 236.47 | J/mol×K | 637.87 | Joback Calculated Property |
| Cp,gas | 245.86 | J/mol×K | 676.05 | Joback Calculated Property |
| Cp,gas | 254.61 | J/mol×K | 714.22 | Joback Calculated Property |
| Cp,gas | 262.75 | J/mol×K | 752.40 | Joback Calculated Property |
| Cp,solid | [149.12; 151.17] | J/mol×K | [298.15; 300.40] |
|
| 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] |
|
| 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 Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.00080e+01 | |||
| Coefficient B | -1.23246e+04 | |||
| Coefficient C | 3.09086e-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
Find more compounds similar to Proline.
Mixtures
- Proline + Pentanoic acid, 4-oxo-
- Proline + Lactic acid
- Proline + Water
- potassium chloride + Proline + Water
- Potassium nitrate + Proline + Water
- Proline + Water + Potassium sulfate
- Proline + sodium chloride + Water
- Proline + Sodium nitrate + Water
- Ammonium sulfate + Proline + Water
- Proline + Glucose + Water
- Proline + Sucrose + Water
- Proline + Methyl Alcohol
- Proline + Ethanol
- Proline + Acetone
- Proline + Acetonitrile
- Proline + Acetone + Methyl Alcohol
- Proline + Ethanol + Acetone
- Proline + Acetonitrile + Methyl Alcohol
- Proline + Acetonitrile + Ethanol
- Proline + Ethanol + Water
Find more mixtures with Proline.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Effect of KCl and KNO3 on Partial Molal Volumes and Partial Molal Compressibilities of Some Amino Acids at Different Temperatures
- Volumetric and viscometric behaviour of amino acids in aqueous metal electrolytes solutions at 308K
- Salting-out effect in polypropylene glycol-amino acid aqueous solutions revealed by vapor pressure osmometry
- Vapor pressure osmometry determination of vapor-liquid equilibria behavior of aqueous imidazolium-based ionic liquid + amino acid systems
- Intermolecular/interionic interactions in L-isoleucine-, L-proline-, and L-glutamine-aqueous electrolyte systems
- Viscosity studies of (L-alanine-, L-proline, L-valine, L-leucine + aqueous KCl/KNO3) solutions at different temperatures
- Thermodynamic properties of aqueous 4-hydroxyproline at different temperatures
- Activity coefficients of CaCl2 in (serine or proline + water) mixtures at T = 298.15 K
- Measuring and modeling aqueous electrolyte/amino-acid solutions with ePC-SAFT
- Study of the interactions of PAMAM-NH2 G4 dendrimer with selected natural amino acids in aqueous solutions
- Effect of temperature on solvation behaviour of diclofenac sodium salt in aqueous glycine and L-proline solutions
- Volumetric and compressibility behaviour of poly(propylene glycol) - Amino acid aqueous solutions at different temperatures
- Volumetric property of glycine, L-serine, L-alanine and L-proline in aqueous solutions of 1-phenylpiperazinium tetrafluoroborate
- Physical properties of seven deep eutectic solvents based on L-proline or betaine
- Volumetric approach to the interaction of L-Proline in aqueous Metformin Hydrochloride solutions for temperature range 298.15-318.15 K
- Interactions in l-alanine /l-proline /l-valine /l-leucine aqueous KCl/KNO3 systems at different temperatures: An isentropic compressibility study
- THE STANDARD ENTHALPIES OF FORMATION OF PROLINE ISOMERS
- Enthalpies of L-proline dissolution in aqueous solution of N,N-dimethylformamide at 293.15-308.15 K
- Solubility of the Proteinogenic a-Amino Acids in Water, Ethanol, and Ethanol-Water Mixtures
- Surface Tension of Aqueous Solutions of Small-Chain Amino and Organic Acids
- Temperature of Maximum Density for Binary Aqueous Solutions of Five Amino Acids
- Solubility Behavior and Data Modeling of l-Proline in Different Neat and Binary Solvent Systems
- Mutual Coexistence Curve Measurement of Aqueous Biphasic Systems Composed of [bmim][BF4] and Glycine, L-Serine, and L-Proline, Respectively
- Viscosities of l-Phenylalanine, l-Leucine, l-Glutamic Acid, or l-Proline + 2.0 mol*dm-3 Aqueous NaCl or 2.0 mol*dm-3 Aqueous NaNO3 Solutions at T = (298.15 to 328.15) K
- Densities, Speeds of Sound, and Viscosities of (L-Proline + Aqueous Glucose), and (L-Proline + Aqueous Sucrose) Solutions in the Temperature Range (298.15 to 323.15) K
- Solubility and Thermodynamic Properties of (2S)-Pyrrolidine-2-carboxylic Acid in Water, Alcohols, and Water Alcohol Mixtures
- Temperature Dependences and Enthalpic Discrimination of Homochiral Pairwise Interactions of Six a-Amino Acid Enantiomers in Pure Water
- Dielectric Constants for Binary Amino Acid-Water Solutions from (278.15 to 313.15) K
- Solubilities of L-Proline in Subcritical HFC-134a and Supercritical CO2 Fluids
- Ultrasonic Velocities and Densities of l-Phenylalanine, l-Leucine, l-Glutamic Acid, and l-Proline + 2 mol*L-1 Aqueous NaCl and 2 mol*L-1 Aqueous NaNO3 Solutions from (298.15 to 328.15) K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
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