- InChI
- InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
- InChI Key
- ROWKJAVDOGWPAT-UHFFFAOYSA-N
- Formula
- C4H8O2
- SMILES
- CC(=O)C(C)O
- Molecular Weight1
- 88.11
- CAS
- 513-86-0
- Other Names
-
- 2-Butanone, 3-hydroxy-
- «gamma»-Hydroxy-«beta»-oxobutane
- Acetyl methyl carbinol
- Dimethylketol
- Methanol, acetylmethyl-
- 1-Hydroxyethyl methyl ketone
- 2-Hydroxy-3-butanone
- 2,3-Butanolone
- 3-Hydroxy-2-butanone
- 2-Butanol-3-one
- UN 2621
- 2-Hydroxy-3-oxobutane
- 3-Hydroxybutan-2-one
- 3-Hydroxyl-2-butanone
- Butan-2-one, 3-hydroxy-
- NSC 7609
- acetoine
- 3-hydroxy-2-butanone (acetoin)
- 3-hydroxybutan-2-one (acetoin)
- 3-hydroxy-2-butanone (acetoine)
- acetoin (3-hydroxy-2-butanone)
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -285.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.70 ± 0.40 | kJ/mol | NIST |
| log10WS | -0.15 | Crippen Calculated Property | |
| logPoct/wat | -0.044 | Crippen Calculated Property | |
| McVol | 74.660 | ml/mol | McGowan Calculated Property |
| Pc | 4829.24 | kPa | Joback Calculated Property |
| Inp | [661.00; 753.00] |
|
|
| Inp | 666.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 692.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | Outlier 661.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | Outlier 743.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | Outlier 662.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 717.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 689.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 713.80 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 727.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 678.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 728.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 682.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 686.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 721.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | Outlier 753.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 720.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | 728.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 711.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 713.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 712.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | Outlier 661.00 | NIST | |
| Inp | Outlier 753.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 718.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 710.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 693.00 | NIST | |
| I | [1236.00; 1333.00] |
|
|
| I | 1280.00 | NIST | |
| I | 1280.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1286.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1255.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1264.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1263.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1302.00 | NIST | |
| I | 1303.00 | NIST | |
| I | 1259.00 | NIST | |
| I | 1283.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1280.00 | NIST | |
| I | 1280.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1259.00 | NIST | |
| I | 1290.00 | NIST | |
| I | 1273.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1273.00 | NIST | |
| I | Outlier 1248.00 | NIST | |
| I | Outlier 1332.00 | NIST | |
| I | 1303.00 | NIST | |
| I | 1290.00 | NIST | |
| I | 1271.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1273.00 | NIST | |
| I | 1269.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1271.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1277.00 | NIST | |
| I | 1273.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1274.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1273.00 | NIST | |
| I | 1301.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1301.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1282.00 | NIST | |
| I | Outlier 1333.00 | NIST | |
| I | 1286.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1277.00 | NIST | |
| I | 1286.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1276.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1253.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1253.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1286.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1299.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1314.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1266.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1273.00 | NIST | |
| I | Outlier 1331.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1253.00 | NIST | |
| I | 1256.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1299.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1273.00 | NIST | |
| I | 1285.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1283.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1294.00 | NIST | |
| I | 1303.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1274.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1271.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1314.00 | NIST | |
| I | Outlier 1320.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1299.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1286.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1309.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1294.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1290.00 | NIST | |
| I | 1259.00 | NIST | |
| I | 1274.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1277.00 | NIST | |
| I | 1291.00 | NIST | |
| I | Outlier 1325.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1307.00 | NIST | |
| I | Outlier 1236.00 | NIST | |
| I | 1270.00 | NIST | |
| I | Outlier 1320.00 | NIST | |
| I | 1288.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1276.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1278.00 | NIST | |
| I | Outlier 1236.00 | NIST | |
| I | 1308.00 | NIST | |
| I | 1302.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1280.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1277.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1286.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1256.00 | NIST | |
| I | 1261.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1277.00 | NIST | |
| I | 1266.00 | NIST | |
| I | 1280.90 | NIST | |
| I | 1266.00 | NIST | |
| I | 1256.00 | NIST | |
| I | 1267.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1264.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1277.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1254.00 | NIST | |
| I | 1286.00 | NIST | |
| I | 1264.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1302.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1309.00 | NIST | |
| I | 1301.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1299.00 | NIST | |
| I | 1286.00 | NIST | |
| I | 1269.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1294.00 | NIST | |
| I | 1266.00 | NIST | |
| I | 1259.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1292.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1266.00 | NIST | |
| I | Outlier 1238.00 | NIST | |
| I | 1263.00 | NIST | |
| I | 1277.00 | NIST | |
| I | 1279.00 | NIST | |
| I | 1299.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1277.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1265.00 | NIST | |
| I | 1291.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1302.00 | NIST | |
| I | 1297.00 | NIST | |
| I | 1270.00 | NIST | |
| I | 1282.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1279.00 | NIST | |
| Tboil | 436.53 | K | Joback Calculated Property |
| Tc | 614.26 | K | Joback Calculated Property |
| Tfus | 230.59 | K | Joback Calculated Property |
| Vc | 0.279 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.25; 183.06] | J/mol×K | [436.53; 614.26] |
|
| Cp,gas | 146.25 | J/mol×K | 436.53 | Joback Calculated Property |
| Cp,gas | 153.06 | J/mol×K | 466.15 | Joback Calculated Property |
| Cp,gas | 159.59 | J/mol×K | 495.77 | Joback Calculated Property |
| Cp,gas | 165.85 | J/mol×K | 525.39 | Joback Calculated Property |
| Cp,gas | 171.84 | J/mol×K | 555.02 | Joback Calculated Property |
| Cp,gas | 177.58 | J/mol×K | 584.64 | Joback Calculated Property |
| Cp,gas | 183.06 | J/mol×K | 614.26 | Joback Calculated Property |
| η | [0.0002698; 0.0663519] | Pa×s | [230.59; 436.53] |
|
| η | 0.0663519 | Pa×s | 230.59 | Joback Calculated Property |
| η | 0.0146308 | Pa×s | 264.91 | Joback Calculated Property |
| η | 0.0045636 | Pa×s | 299.24 | Joback Calculated Property |
| η | 0.0018091 | Pa×s | 333.56 | Joback Calculated Property |
| η | 0.0008524 | Pa×s | 367.88 | Joback Calculated Property |
| η | 0.0004566 | Pa×s | 402.21 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 436.53 | Joback Calculated Property |
| ΔvapH | 38.40 | kJ/mol | 345.50 | NIST |
Similar Compounds
Find more compounds similar to Acetoin.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.