- InChI
- InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
- InChI Key
- DQBQWWSFRPLIAX-UHFFFAOYSA-N
- Formula
- C6H9NO
- SMILES
- CC(=O)C1=NCCC1
- Molecular Weight1
- 111.14
- CAS
- 85213-22-5
- Other Names
-
- 1-Pyrroline, 2-acetyl
- 2-Acetyl-4,5-dihydro-3H-pyrrole
- 2-Acetyl-1-pyrolline
- 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° | 52.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -81.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.43 | kJ/mol | Joback Calculated Property |
| log10WS | -0.67 | Crippen Calculated Property | |
| logPoct/wat | 0.810 | Crippen Calculated Property | |
| McVol | 91.790 | ml/mol | McGowan Calculated Property |
| Pc | 4468.24 | kPa | Joback Calculated Property |
| Inp | [892.00; 935.00] |
|
|
| Inp | 930.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 929.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 935.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 934.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | Outlier 896.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | Outlier 892.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | Outlier 892.00 | NIST | |
| Inp | Outlier 892.00 | NIST | |
| Inp | Outlier 898.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 912.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 925.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 916.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 922.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | Outlier 892.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 925.00 | NIST | |
| I | [1309.00; 1377.00] |
|
|
| I | 1340.00 | NIST | |
| I | 1347.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1338.00 | NIST | |
| I | 1335.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1319.00 | NIST | |
| I | 1335.00 | NIST | |
| I | 1340.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1311.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1331.00 | NIST | |
| I | 1333.00 | NIST | |
| I | 1333.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1319.00 | NIST | |
| I | 1329.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1324.00 | NIST | |
| I | 1322.00 | NIST | |
| I | 1348.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1355.00 | NIST | |
| I | 1325.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1337.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1338.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1345.00 | NIST | |
| I | 1352.00 | NIST | |
| I | Outlier 1374.00 | NIST | |
| I | Outlier 1374.00 | NIST | |
| I | Outlier 1377.00 | NIST | |
| I | 1340.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1345.00 | NIST | |
| I | 1338.00 | NIST | |
| I | 1338.00 | NIST | |
| I | 1341.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1337.00 | NIST | |
| I | 1339.00 | NIST | |
| I | 1335.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1335.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1348.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1337.00 | NIST | |
| I | 1322.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1309.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1319.00 | NIST | |
| I | 1343.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1352.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1335.00 | NIST | |
| I | 1340.00 | NIST | |
| I | 1328.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1343.00 | NIST | |
| Tboil | 468.34 | K | Joback Calculated Property |
| Tc | 694.64 | K | Joback Calculated Property |
| Tfus | 307.27 | K | Joback Calculated Property |
| Vc | 0.354 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.13; 261.49] | J/mol×K | [468.34; 694.64] |
|
| Cp,gas | 194.13 | J/mol×K | 468.34 | Joback Calculated Property |
| Cp,gas | 207.13 | J/mol×K | 506.06 | Joback Calculated Property |
| Cp,gas | 219.40 | J/mol×K | 543.77 | Joback Calculated Property |
| Cp,gas | 230.97 | J/mol×K | 581.49 | Joback Calculated Property |
| Cp,gas | 241.83 | J/mol×K | 619.20 | Joback Calculated Property |
| Cp,gas | 252.00 | J/mol×K | 656.92 | Joback Calculated Property |
| Cp,gas | 261.49 | J/mol×K | 694.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetyl-1-pyrroline.
Sources
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that the value is more than 2 standard deviations away from the
property mean.