- 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
- 52217-02-4
- 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)
- 2-Butanone, 3-hydroxy-, (.+/-.)-
- ω : Acentric Factor.
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.5337 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -427.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.044 | Crippen Calculated Property | |
| McVol | 74.660 | ml/mol | McGowan Calculated Property |
| Pc | 4829.24 | kPa | Joback Calculated Property |
| Tboil | 416.20 | K | NIST |
| Tc | 598.73 | K | Relay (1.0) Calculated Property |
| Tfus | 272.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.283 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 310.20 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [103.45; 233.92] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.02200e+01 | |||
| Coefficient B | 3.95740e-01 | |||
| Coefficient C | -2.08700e-04 | |||
| Coefficient D | 3.66600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 103.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 125.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 145.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 163.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 179.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 193.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 206.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 216.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 226.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 233.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0663519; 0.0002956] | Pa×s | [230.59; 430.18] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.43815e+01 | |||
| Coefficient B | 2.69068e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 230.59 | |||
| Temperature range, max. | 430.18 | |||
| η | 0.0663519 | Pa×s | 230.59 | Calculated Property |
| η | 0.0238365 | Pa×s | 252.77 | Calculated Property |
| η | 0.0101008 | Pa×s | 274.94 | Calculated Property |
| η | 0.0048655 | Pa×s | 297.12 | Calculated Property |
| η | 0.0025940 | Pa×s | 319.30 | Calculated Property |
| η | 0.0015007 | Pa×s | 341.47 | Calculated Property |
| η | 0.0009281 | Pa×s | 363.65 | Calculated Property |
| η | 0.0006066 | Pa×s | 385.83 | Calculated Property |
| η | 0.0004152 | Pa×s | 408.00 | Calculated Property |
| η | 0.0002956 | Pa×s | 430.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetoin.
Sources
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