- InChI
- InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
- InChI Key
- LVSQXDHWDCMMRJ-UHFFFAOYSA-N
- Formula
- C4H8O2
- SMILES
- CC(=O)CCO
- Molecular Weight1
- 88.11
- Other Names
-
- Methylolacetone
- Monomethylolacetone
- 3-Ketobutan-1-ol
- 3-Oxo-1-butanol
- 3-Oxobutanol
- 4-Butanol-2-one
- 4-Hydroxy-2-butanone
- NSC 41219
- 4-hydroxybutan-2-one
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6057 | Relay (1.0) Calculated Property | |
| ΔfG° | -282.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | 1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.042 | Crippen Calculated Property | |
| McVol | 74.660 | ml/mol | McGowan Calculated Property |
| Pc | 4775.98 | kPa | Joback Calculated Property |
| Inp | [751.00; 814.00] |
|
|
| Inp | 751.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 798.00 | NIST | |
| Tboil | 446.40 | K | Relay (1.0) Calculated Property |
| Tc | 660.27 | K | Relay (1.0) Calculated Property |
| Tfus | 226.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.260 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [363.20; 382.70] | K | [1.50; 4.00] |
|
| Tboilr | 363.20 | K | 1.50 | NIST |
| Tboilr | 382.70 | K | 4.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [103.76; 233.38] | 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 | 1.19020e+01 | |||
| Coefficient B | 3.89820e-01 | |||
| Coefficient C | -2.05500e-04 | |||
| Coefficient D | 3.71600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 103.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 125.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 145.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 163.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 179.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 193.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 205.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 216.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 225.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 233.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0318897; 0.0003204] | Pa×s | [245.59; 427.78] |
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 | -1.42475e+01 | |||
| Coefficient B | 2.65286e+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. | 245.59 | |||
| Temperature range, max. | 427.78 | |||
| η | 0.0318897 | Pa×s | 245.59 | Calculated Property |
| η | 0.0140090 | Pa×s | 265.83 | Calculated Property |
| η | 0.0069139 | Pa×s | 286.08 | Calculated Property |
| η | 0.0037461 | Pa×s | 306.32 | Calculated Property |
| η | 0.0021899 | Pa×s | 326.56 | Calculated Property |
| η | 0.0013630 | Pa×s | 346.81 | Calculated Property |
| η | 0.0008939 | Pa×s | 367.05 | Calculated Property |
| η | 0.0006126 | Pa×s | 387.29 | Calculated Property |
| η | 0.0004360 | Pa×s | 407.54 | Calculated Property |
| η | 0.0003204 | Pa×s | 427.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanone, 4-hydroxy-.
Sources
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