- InChI
- InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
- InChI Key
- BNDRWEVUODOUDW-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CC(=O)C(C)(C)O
- Molecular Weight1
- 102.13
- CAS
- 115-22-0
- Other Names
-
- 2-Butanone, 3-hydroxy-3-methyl-
- Dimethylacetylcarbinol
- 3-Hydroxy-3-methylbutanone
- 1-Hydroxy-1-methylethyl methyl ketone
- Methylacetoin
- 3-Methylacetoin
- Acetyldimethylcarbinol
- 2-Hydroxy-2-methyl-3-butanone
- 2-Methyl-2-hydroxybutan-3-one
- 3-hydroxy-3-ethylbutanone
- 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° | -271.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.85 | kJ/mol | Joback Calculated Property |
| log10WS | -0.57 | Crippen Calculated Property | |
| logPoct/wat | 0.346 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 4305.56 | kPa | Joback Calculated Property |
| Inp | [691.00; 779.00] |
|
|
| Inp | 691.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 778.00 | NIST | |
| Inp | 779.00 | NIST | |
| I | [1238.00; 1262.00] |
|
|
| I | 1262.00 | NIST | |
| I | 1243.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1238.00 | NIST | |
| I | 1246.00 | NIST | |
| I | 1262.00 | NIST | |
| Tboil | 413.20 | K | NIST |
| Tc | 639.96 | K | Joback Calculated Property |
| Tfus | 259.28 | K | Joback Calculated Property |
| Vc | 0.330 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.87; 232.22] | J/mol×K | [456.62; 639.96] |
|
| Cp,gas | 186.87 | J/mol×K | 456.62 | Joback Calculated Property |
| Cp,gas | 195.55 | J/mol×K | 487.18 | Joback Calculated Property |
| Cp,gas | 203.75 | J/mol×K | 517.73 | Joback Calculated Property |
| Cp,gas | 211.50 | J/mol×K | 548.29 | Joback Calculated Property |
| Cp,gas | 218.81 | J/mol×K | 578.85 | Joback Calculated Property |
| Cp,gas | 225.71 | J/mol×K | 609.41 | Joback Calculated Property |
| Cp,gas | 232.22 | J/mol×K | 639.96 | Joback Calculated Property |
| η | [0.0002510; 0.0365089] | Pa×s | [259.28; 456.62] |
|
| η | 0.0365089 | Pa×s | 259.28 | Joback Calculated Property |
| η | 0.0099787 | Pa×s | 292.17 | Joback Calculated Property |
| η | 0.0035460 | Pa×s | 325.06 | Joback Calculated Property |
| η | 0.0015240 | Pa×s | 357.95 | Joback Calculated Property |
| η | 0.0007550 | Pa×s | 390.84 | Joback Calculated Property |
| η | 0.0004171 | Pa×s | 423.73 | Joback Calculated Property |
| η | 0.0002510 | Pa×s | 456.62 | Joback Calculated Property |
| ΔvapH | 41.10 | kJ/mol | 368.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Hydroxy-3-methyl-2-butanone.
Sources
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