- InChI
- InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3,5,7H,1,4H2,2H3
- InChI Key
- BFAZWULGRMBHPB-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- C=CC(O)C(=O)CC
- Molecular Weight1
- 114.14
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (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° | -180.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.32 | kJ/mol | Joback Calculated Property |
| log10WS | -0.84 | Crippen Calculated Property | |
| logPoct/wat | 0.512 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| I | [1453.00; 1453.00] |
|
|
| I | 1453.00 | NIST | |
| I | 1453.00 | NIST | |
| Tboil | 478.97 | K | Joback Calculated Property |
| Tc | 657.28 | K | Joback Calculated Property |
| Tfus | 251.37 | K | Joback Calculated Property |
| Vc | 0.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.84; 252.30] | J/mol×K | [478.97; 657.28] |
|
| Cp,gas | 206.84 | J/mol×K | 478.97 | Joback Calculated Property |
| Cp,gas | 215.35 | J/mol×K | 508.69 | Joback Calculated Property |
| Cp,gas | 223.47 | J/mol×K | 538.41 | Joback Calculated Property |
| Cp,gas | 231.22 | J/mol×K | 568.12 | Joback Calculated Property |
| Cp,gas | 238.60 | J/mol×K | 597.84 | Joback Calculated Property |
| Cp,gas | 245.62 | J/mol×K | 627.56 | Joback Calculated Property |
| Cp,gas | 252.30 | J/mol×K | 657.28 | Joback Calculated Property |
| η | [0.0002017; 0.0411915] | Pa×s | [251.37; 478.97] |
|
| η | 0.0411915 | Pa×s | 251.37 | Joback Calculated Property |
| η | 0.0094923 | Pa×s | 289.30 | Joback Calculated Property |
| η | 0.0030741 | Pa×s | 327.24 | Joback Calculated Property |
| η | 0.0012583 | Pa×s | 365.17 | Joback Calculated Property |
| η | 0.0006094 | Pa×s | 403.10 | Joback Calculated Property |
| η | 0.0003343 | Pa×s | 441.04 | Joback Calculated Property |
| η | 0.0002017 | Pa×s | 478.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-1-hexen-4-one.
Sources
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