- 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
- CAS
- 590-90-9
- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -282.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.92 | kJ/mol | Joback Calculated Property |
| log10WS | -0.04 | Crippen 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 | 798.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 755.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 798.00 | NIST | |
| Tboil | 436.97 | K | Joback Calculated Property |
| Tc | 610.84 | K | Joback Calculated Property |
| Tfus | 245.59 | K | Joback Calculated Property |
| Vc | 0.284 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.10; 181.81] | J/mol×K | [436.97; 610.84] |
|
| Cp,gas | 146.10 | J/mol×K | 436.97 | Joback Calculated Property |
| Cp,gas | 152.68 | J/mol×K | 465.95 | Joback Calculated Property |
| Cp,gas | 159.00 | J/mol×K | 494.93 | Joback Calculated Property |
| Cp,gas | 165.07 | J/mol×K | 523.90 | Joback Calculated Property |
| Cp,gas | 170.89 | J/mol×K | 552.88 | Joback Calculated Property |
| Cp,gas | 176.47 | J/mol×K | 581.86 | Joback Calculated Property |
| Cp,gas | 181.81 | J/mol×K | 610.84 | Joback Calculated Property |
| η | [0.0002812; 0.0318897] | Pa×s | [245.59; 436.97] |
|
| η | 0.0318897 | Pa×s | 245.59 | Joback Calculated Property |
| η | 0.0092130 | Pa×s | 277.49 | Joback Calculated Property |
| η | 0.0034383 | Pa×s | 309.38 | Joback Calculated Property |
| η | 0.0015427 | Pa×s | 341.28 | Joback Calculated Property |
| η | 0.0007939 | Pa×s | 373.18 | Joback Calculated Property |
| η | 0.0004536 | Pa×s | 405.07 | Joback Calculated Property |
| η | 0.0002812 | Pa×s | 436.97 | Joback 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 |
Similar Compounds
Find more compounds similar to CH3C(O)CH2CH2OH.
Sources
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