- InChI
- InChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4,6,8H,1-2H3/b4-3+
- InChI Key
- SNHRCGORDKLMQV-ONEGZZNKSA-N
- Formula
- C6H10O2
- SMILES
- CC=CC(O)C(C)=O
- Molecular Weight1
- 114.14
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5192 | Relay (... Calculated Property | |
| ΔfG° | -188.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.08 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.60 | kJ/mol | Relay (... Calculated Property |
| IE | 9.37 | eV | Relay (... Calculated Property |
| log10WS | -0.11 | Relay (... Calculated Property | |
| logPoct/wat | 0.512 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 4010.84 | kPa | Joback Calculated Property |
| I | 1481.00 | NIST | |
| Tboil | 432.75 | K | Relay (... Calculated Property |
| Tc | 626.41 | K | Relay (... Calculated Property |
| Tfus | 304.88 | K | Relay (... Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.34; 252.21] | J/mol×K | [486.45; 669.30] | 
|
| Cp,gas | 206.34 | J/mol×K | 486.45 | Joback Calculated Property |
| Cp,gas | 215.01 | J/mol×K | 516.92 | Joback Calculated Property |
| Cp,gas | 223.25 | J/mol×K | 547.40 | Joback Calculated Property |
| Cp,gas | 231.07 | J/mol×K | 577.87 | Joback Calculated Property |
| Cp,gas | 238.49 | J/mol×K | 608.35 | Joback Calculated Property |
| Cp,gas | 245.53 | J/mol×K | 638.82 | Joback Calculated Property |
| Cp,gas | 252.21 | J/mol×K | 669.30 | Joback Calculated Property |
| η | [0.0001605; 0.0452390] | Pa×s | [248.05; 486.45] |
|
| η | 0.0452390 | Pa×s | 248.05 | Joback Calculated Property |
| η | 0.0092323 | Pa×s | 287.78 | Joback Calculated Property |
| η | 0.0027706 | Pa×s | 327.52 | Joback Calculated Property |
| η | 0.0010788 | Pa×s | 367.25 | Joback Calculated Property |
| η | 0.0005050 | Pa×s | 406.98 | Joback Calculated Property |
| η | 0.0002706 | Pa×s | 446.72 | Joback Calculated Property |
| η | 0.0001605 | Pa×s | 486.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-(E)-4-hexen-2-one.
Sources
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