- InChI
- InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h2-5H2,1H3
- InChI Key
- OVNCGQSYSSYBPO-UHFFFAOYSA-N
- Formula
- C7H11NO
- SMILES
- CCC(=O)C1=NCCC1
- Molecular Weight1
- 125.17
- Other Names
-
- 1-Pyrroline, 2-propanoyl
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 60.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -102.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.65 | kJ/mol | Joback Calculated Property |
| log10WS | -1.09 | Crippen Calculated Property | |
| logPoct/wat | 1.200 | Crippen Calculated Property | |
| McVol | 105.880 | ml/mol | McGowan Calculated Property |
| Pc | 3945.61 | kPa | Joback Calculated Property |
| Inp | [1000.00; 1024.00] |
|
|
| Inp | 1023.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | Outlier 1000.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1023.00 | NIST | |
| I | [1382.00; 1461.00] |
|
|
| I | 1434.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1400.00 | NIST | |
| I | 1445.00 | NIST | |
| I | 1460.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1413.00 | NIST | |
| I | 1415.00 | NIST | |
| I | 1427.00 | NIST | |
| I | 1417.00 | NIST | |
| I | Outlier 1382.00 | NIST | |
| I | 1445.00 | NIST | |
| I | 1427.00 | NIST | |
| I | 1417.00 | NIST | |
| Tboil | 491.22 | K | Joback Calculated Property |
| Tc | 713.84 | K | Joback Calculated Property |
| Tfus | 318.54 | K | Joback Calculated Property |
| Vc | 0.410 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.14; 309.58] | J/mol×K | [491.22; 713.84] |
|
| Cp,gas | 236.14 | J/mol×K | 491.22 | Joback Calculated Property |
| Cp,gas | 250.32 | J/mol×K | 528.32 | Joback Calculated Property |
| Cp,gas | 263.70 | J/mol×K | 565.43 | Joback Calculated Property |
| Cp,gas | 276.30 | J/mol×K | 602.53 | Joback Calculated Property |
| Cp,gas | 288.13 | J/mol×K | 639.63 | Joback Calculated Property |
| Cp,gas | 299.22 | J/mol×K | 676.73 | Joback Calculated Property |
| Cp,gas | 309.58 | J/mol×K | 713.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propionyl-1-pyrroline.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.