- InChI
- InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3H,1,4-5H2,2H3
- InChI Key
- RUJLJMUWUVTHEU-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- C=CCC(=O)CC
- Molecular Weight1
- 98.14
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- 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).
- 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 | 0.3010 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3591.00 | kJ/mol | NIST |
| ΔfG° | -41.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | 392.59 | K | Relay (1.0) Calculated Property |
| Tc | 587.12 | K | Relay (1.0) Calculated Property |
| Tfus | 234.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.329 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.46; 214.25] | J/mol×K | [387.43; 568.84] | 
|
| Cp,gas | 163.46 | J/mol×K | 387.43 | Joback Calculated Property |
| Cp,gas | 172.89 | J/mol×K | 417.67 | Joback Calculated Property |
| Cp,gas | 181.93 | J/mol×K | 447.90 | Joback Calculated Property |
| Cp,gas | 190.57 | J/mol×K | 478.14 | Joback Calculated Property |
| Cp,gas | 198.83 | J/mol×K | 508.37 | Joback Calculated Property |
| Cp,gas | 206.72 | J/mol×K | 538.61 | Joback Calculated Property |
| Cp,gas | 214.25 | J/mol×K | 568.84 | Joback Calculated Property |
| η | [0.0002926; 0.0032665] | Pa×s | [205.55; 387.43] |
|
| η | 0.0032665 | Pa×s | 205.55 | Joback Calculated Property |
| η | 0.0016874 | Pa×s | 235.86 | Joback Calculated Property |
| η | 0.0010132 | Pa×s | 266.18 | Joback Calculated Property |
| η | 0.0006752 | Pa×s | 296.49 | Joback Calculated Property |
| η | 0.0004852 | Pa×s | 326.80 | Joback Calculated Property |
| η | 0.0003688 | Pa×s | 357.12 | Joback Calculated Property |
| η | 0.0002926 | Pa×s | 387.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-3-one.
Sources
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