- InChI
- InChI=1S/C5H10O2/c1-4(3-6)5(2)7/h4,6H,3H2,1-2H3
- InChI Key
- VVSRECWZBBJOTG-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CC(=O)C(C)CO
- Molecular Weight1
- 102.13
- CAS
- 3393-64-4
- Other Names
-
- 3-(Hydroxymethyl)-2-butanone
- 4-Hydroxy-3-methyl-2-butanone
- 4-hydroxy-3-methylbutan-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).
- 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.
- 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° | -276.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.76 | kJ/mol | Joback Calculated Property |
| log10WS | -0.22 | Crippen Calculated Property | |
| logPoct/wat | 0.204 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 4244.08 | kPa | Joback Calculated Property |
| Inp | [826.00; 832.00] |
|
|
| Inp | 826.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 826.00 | NIST | |
| Tboil | 459.41 | K | Joback Calculated Property |
| Tc | 635.76 | K | Joback Calculated Property |
| Tfus | 241.86 | K | Joback Calculated Property |
| Vc | 0.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.94; 227.44] | J/mol×K | [459.41; 635.76] |
|
| Cp,gas | 183.94 | J/mol×K | 459.41 | Joback Calculated Property |
| Cp,gas | 191.99 | J/mol×K | 488.80 | Joback Calculated Property |
| Cp,gas | 199.72 | J/mol×K | 518.19 | Joback Calculated Property |
| Cp,gas | 207.12 | J/mol×K | 547.58 | Joback Calculated Property |
| Cp,gas | 214.20 | J/mol×K | 576.97 | Joback Calculated Property |
| Cp,gas | 220.97 | J/mol×K | 606.37 | Joback Calculated Property |
| Cp,gas | 227.44 | J/mol×K | 635.76 | Joback Calculated Property |
| η | [0.0002315; 0.0540168] | Pa×s | [241.86; 459.41] |
|
| η | 0.0540168 | Pa×s | 241.86 | Joback Calculated Property |
| η | 0.0120393 | Pa×s | 278.12 | Joback Calculated Property |
| η | 0.0037936 | Pa×s | 314.38 | Joback Calculated Property |
| η | 0.0015179 | Pa×s | 350.63 | Joback Calculated Property |
| η | 0.0007211 | Pa×s | 386.89 | Joback Calculated Property |
| η | 0.0003892 | Pa×s | 423.15 | Joback Calculated Property |
| η | 0.0002315 | Pa×s | 459.41 | Joback Calculated Property |
| ΔvapH | [58.30; 59.00] | kJ/mol | [387.50; 451.50] |
|
| ΔvapH | 59.00 | kJ/mol | 387.50 | NIST |
| ΔvapH | 58.30 | kJ/mol | 451.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Butanone, 4-hydroxy-3-methyl-.
Sources
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