- InChI
- InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1
- InChI Key
- ROWKJAVDOGWPAT-VKHMYHEASA-N
- Formula
- C4H8O2
- SMILES
- CC(=O)C(C)O
- Molecular Weight1
- 88.11
- CAS
- 53584-56-8
- 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).
- 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° | -285.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -395.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.53 | kJ/mol | Joback Calculated Property |
| log10WS | -0.15 | Crippen 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 | 614.26 | K | Joback Calculated Property |
| Tfus | 230.59 | K | Joback Calculated Property |
| Vc | 0.279 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.25; 183.06] | J/mol×K | [436.53; 614.26] | 
|
| Cp,gas | 146.25 | J/mol×K | 436.53 | Joback Calculated Property |
| Cp,gas | 153.06 | J/mol×K | 466.15 | Joback Calculated Property |
| Cp,gas | 159.59 | J/mol×K | 495.77 | Joback Calculated Property |
| Cp,gas | 165.85 | J/mol×K | 525.39 | Joback Calculated Property |
| Cp,gas | 171.84 | J/mol×K | 555.02 | Joback Calculated Property |
| Cp,gas | 177.58 | J/mol×K | 584.64 | Joback Calculated Property |
| Cp,gas | 183.06 | J/mol×K | 614.26 | Joback Calculated Property |
| η | [0.0002698; 0.0663519] | Pa×s | [230.59; 436.53] |
|
| η | 0.0663519 | Pa×s | 230.59 | Joback Calculated Property |
| η | 0.0146308 | Pa×s | 264.91 | Joback Calculated Property |
| η | 0.0045636 | Pa×s | 299.24 | Joback Calculated Property |
| η | 0.0018091 | Pa×s | 333.56 | Joback Calculated Property |
| η | 0.0008524 | Pa×s | 367.88 | Joback Calculated Property |
| η | 0.0004566 | Pa×s | 402.21 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 436.53 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 322.40 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 2-Butanone, 3-hydroxy-, (R)-.
Sources
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