- InChI
- InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3/b5-4+
- InChI Key
- LPCWMYHBLXLJJQ-SNAWJCMRSA-N
- Formula
- C6H10O
- SMILES
- CCC=CC(C)=O
- Molecular Weight1
- 98.14
- CAS
- 4376-23-2
- Other Names
-
- 3-hexen-2-one(E)
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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.
- 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 |
|---|---|---|---|
| PAff | 865.60 | kJ/mol | NIST |
| BasG | 833.80 | kJ/mol | NIST |
| ΔfG° | -49.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.65 | kJ/mol | Joback Calculated Property |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Inp | [843.00; 844.00] |
|
|
| Inp | 843.00 | NIST | |
| Inp | 844.00 | NIST | |
| I | [1188.00; 1188.00] |
|
|
| I | 1188.00 | NIST | |
| I | 1188.00 | NIST | |
| Tboil | 394.71 | K | Joback Calculated Property |
| Tc | 581.55 | K | Joback Calculated Property |
| Tfus | 202.23 | K | Joback Calculated Property |
| Vc | 0.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.73; 214.70] | J/mol×K | [394.71; 581.55] |
|
| Cp,gas | 162.73 | J/mol×K | 394.71 | Joback Calculated Property |
| Cp,gas | 172.50 | J/mol×K | 425.85 | Joback Calculated Property |
| Cp,gas | 181.81 | J/mol×K | 456.99 | Joback Calculated Property |
| Cp,gas | 190.67 | J/mol×K | 488.13 | Joback Calculated Property |
| Cp,gas | 199.09 | J/mol×K | 519.27 | Joback Calculated Property |
| Cp,gas | 207.09 | J/mol×K | 550.41 | Joback Calculated Property |
| Cp,gas | 214.70 | J/mol×K | 581.55 | Joback Calculated Property |
| η | [0.0002472; 0.0034897] | Pa×s | [202.23; 394.71] |
|
| η | 0.0034897 | Pa×s | 202.23 | Joback Calculated Property |
| η | 0.0016596 | Pa×s | 234.31 | Joback Calculated Property |
| η | 0.0009440 | Pa×s | 266.39 | Joback Calculated Property |
| η | 0.0006062 | Pa×s | 298.47 | Joback Calculated Property |
| η | 0.0004242 | Pa×s | 330.55 | Joback Calculated Property |
| η | 0.0003162 | Pa×s | 362.63 | Joback Calculated Property |
| η | 0.0002472 | Pa×s | 394.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3-hexen-2-one.
Sources
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