- InChI
- InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
- InChI Key
- XLSMFKSTNGKWQX-UHFFFAOYSA-N
- Formula
- C3H6O2
- SMILES
- CC(=O)CO
- Molecular Weight1
- 74.08
- CAS
- 116-09-6
- Other Names
-
- 1-Hydroxypropan-2-one
- 1-hydroxy-2-propanone
- Acetone alcohol
- Acetylcarbinol
- CH3C(O)CH2OH
- Hydroxypropan-2-one
- Methanol, acetyl-
- acetol
- hydroxyacetone
- hydroxyacetone (acetol)
- hydroxypropanone
- 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).
- IE : Ionization energy (eV).
- 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).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- 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° | -291.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.70 | kJ/mol | Joback Calculated Property |
| IE | 10.00 ± 0.10 | eV | NIST |
| log10WS | 0.38 | Crippen Calculated Property | |
| logPoct/wat | -0.432 | Crippen Calculated Property | |
| McVol | 60.570 | ml/mol | McGowan Calculated Property |
| Pc | 5478.85 | kPa | Joback Calculated Property |
| Inp | [620.00; 713.00] |
|
|
| Inp | 652.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 632.00 | NIST | |
| Inp | 631.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | 640.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | Outlier 713.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 625.00 | NIST | |
| I | [1266.00; 1340.00] |
|
|
| I | Outlier 1266.00 | NIST | |
| I | 1277.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1290.00 | NIST | |
| I | 1275.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1303.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1303.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1278.00 | NIST | |
| I | 1304.00 | NIST | |
| I | 1303.00 | NIST | |
| I | 1321.00 | NIST | |
| I | 1310.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1321.00 | NIST | |
| I | 1319.00 | NIST | |
| I | 1312.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1274.00 | NIST | |
| I | 1297.00 | NIST | |
| I | Outlier 1340.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1318.00 | NIST | |
| I | 1307.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1326.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1284.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1272.00 | NIST | |
| I | 1300.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1300.00 | NIST | |
| I | 1268.00 | NIST | |
| I | 1300.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1301.00 | NIST | |
| I | 1308.00 | NIST | |
| I | 1290.00 | NIST | |
| I | 1296.00 | NIST | |
| I | 1289.00 | NIST | |
| I | 1315.00 | NIST | |
| I | 1306.00 | NIST | |
| I | 1323.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1295.00 | NIST | |
| I | 1301.00 | NIST | |
| Tboil | 418.70 | K | NIST |
| Tc | 589.06 | K | Joback Calculated Property |
| Tfus | 234.32 | K | Joback Calculated Property |
| Vc | 0.229 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [110.78; 139.21] | J/mol×K | [414.09; 589.06] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 110 115 120 125 130 135 140 450 500 550 | ||||
| Cp,gas | 110.78 | J/mol×K | 414.09 | Joback Calculated Property |
| Cp,gas | 116.00 | J/mol×K | 443.25 | Joback Calculated Property |
| Cp,gas | 121.03 | J/mol×K | 472.41 | Joback Calculated Property |
| Cp,gas | 125.86 | J/mol×K | 501.57 | Joback Calculated Property |
| Cp,gas | 130.50 | J/mol×K | 530.74 | Joback Calculated Property |
| Cp,gas | 134.95 | J/mol×K | 559.90 | Joback Calculated Property |
| Cp,gas | 139.21 | J/mol×K | 589.06 | Joback Calculated Property |
| η | [0.0003214; 0.0368027] | Pa×s | [234.32; 414.09] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-3 0.01 0.02 0.02 0.03 0.03 0.04 0.04 250 300 350 400 | ||||
| η | 0.0368027 | Pa×s | 234.32 | Joback Calculated Property |
| η | 0.0106718 | Pa×s | 264.28 | Joback Calculated Property |
| η | 0.0039819 | Pa×s | 294.24 | Joback Calculated Property |
| η | 0.0017827 | Pa×s | 324.20 | Joback Calculated Property |
| η | 0.0009143 | Pa×s | 354.17 | Joback Calculated Property |
| η | 0.0005205 | Pa×s | 384.13 | Joback Calculated Property |
| η | 0.0003214 | Pa×s | 414.09 | Joback Calculated Property |
| ΔvapH | 42.00 ± 3.00 | kJ/mol | 326.00 | NIST |
| Pvap | [0.13; 0.82] | kPa | [273.22; 303.95] |
|
|
T(K) Vapor pressure (kPa) 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 280 290 300 | ||||
| Pvap | 0.13 | kPa | 273.22 | Vapor P... |
| Pvap | 0.14 | kPa | 275.48 | Vapor P... |
| Pvap | 0.16 | kPa | 277.78 | Vapor P... |
| Pvap | 0.17 | kPa | 278.55 | Vapor P... |
| Pvap | 0.17 | kPa | 278.55 | Vapor P... |
| Pvap | 0.20 | kPa | 280.90 | Vapor P... |
| Pvap | 0.20 | kPa | 281.69 | Vapor P... |
| Pvap | 0.21 | kPa | 281.69 | Vapor P... |
| Pvap | 0.36 | kPa | 289.86 | Vapor P... |
| Pvap | 0.36 | kPa | 290.70 | Vapor P... |
| Pvap | 0.36 | kPa | 290.70 | Vapor P... |
| Pvap | 0.36 | kPa | 290.70 | Vapor P... |
| Pvap | 0.43 | kPa | 293.26 | Vapor P... |
| Pvap | 0.52 | kPa | 295.86 | Vapor P... |
| Pvap | 0.49 | kPa | 295.86 | Vapor P... |
| Pvap | 0.53 | kPa | 296.74 | Vapor P... |
| Pvap | 0.62 | kPa | 300.30 | Vapor P... |
| Pvap | 0.64 | kPa | 301.20 | Vapor P... |
| Pvap | 0.72 | kPa | 302.11 | Vapor P... |
| Pvap | 0.75 | kPa | 303.03 | Vapor P... |
| Pvap | 0.82 | kPa | 303.95 | Vapor P... |
| n0 | 1.42620 | 293.15 | Liquid-... | |
| ρl | [1036.62; 1080.13] | kg/m3 | [293.15; 333.15] |
|
|
T(K) Liquid Density (kg/m3) 1040 1050 1060 1070 1080 300 310 320 330 | ||||
| ρl | 1080.13 | kg/m3 | 293.15 | Liquid-... |
| ρl | 1074.92 | kg/m3 | 298.15 | Liquid-... |
| ρl | 1069.67 | kg/m3 | 303.15 | Liquid-... |
| ρl | 1064.31 | kg/m3 | 308.15 | Liquid-... |
| ρl | 1058.71 | kg/m3 | 313.15 | Liquid-... |
| ρl | 1053.13 | kg/m3 | 318.15 | Liquid-... |
| ρl | 1047.55 | kg/m3 | 323.15 | Liquid-... |
| ρl | 1042.01 | kg/m3 | 328.15 | Liquid-... |
| ρl | 1036.62 | kg/m3 | 333.15 | Liquid-... |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-hydroxy-.
Mixtures
- Trichloromethane + 2-Propanone, 1-hydroxy- + Water
- 2-Propanone, 1-hydroxy- + Ethyl Acetate + Water
- 2-Propanone, 1-hydroxy- + n-Propyl acetate + Water
- Acetic acid, butyl ester + 2-Propanone, 1-hydroxy- + Water
- Toluene + 2-Propanone, 1-hydroxy- + Water
- 2-Propanone, 1-hydroxy- + Isopropyl acetate + Water
Sources
- Crippen Method
- Crippen Method
- Liquid-liquid equilibria and COSMO-SAC modeling of organic solvent/ ionic liquid - hydroxyacetone - water mixtures
- Liquid-liquid equilibria of water + solutes (acetic acid/ acetol/furfural/guaiacol/methanol/phenol/propanal) + solvents (isopropyl acetate/toluene) ternary systems for pyrolysis oil fractionation
- Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K
- Joback Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
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