- InChI
- InChI=1S/C6H10O/c1-3-6(2)4-5-7/h3,5-6H,1,4H2,2H3
- InChI Key
- MWSZRPZREJBOIP-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- C=CC(C)CC=O
- Molecular Weight1
- 98.14
- 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° | -14.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.61 | kJ/mol | Joback Calculated Property |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 1.397 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3585.64 | kPa | Joback Calculated Property |
| I | [1148.00; 1148.00] |
|
|
| I | 1148.00 | NIST | |
| I | 1148.00 | NIST | |
| Tboil | 381.58 | K | Joback Calculated Property |
| Tc | 561.84 | K | Joback Calculated Property |
| Tfus | 182.62 | K | Joback Calculated Property |
| Vc | 0.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.34; 216.06] | J/mol×K | [381.58; 561.84] |
|
| Cp,gas | 165.34 | J/mol×K | 381.58 | Joback Calculated Property |
| Cp,gas | 174.78 | J/mol×K | 411.62 | Joback Calculated Property |
| Cp,gas | 183.82 | J/mol×K | 441.67 | Joback Calculated Property |
| Cp,gas | 192.45 | J/mol×K | 471.71 | Joback Calculated Property |
| Cp,gas | 200.69 | J/mol×K | 501.75 | Joback Calculated Property |
| Cp,gas | 208.56 | J/mol×K | 531.79 | Joback Calculated Property |
| Cp,gas | 216.06 | J/mol×K | 561.84 | Joback Calculated Property |
| η | [0.0002995; 0.0058466] | Pa×s | [182.62; 381.58] |
|
| η | 0.0058466 | Pa×s | 182.62 | Joback Calculated Property |
| η | 0.0024354 | Pa×s | 215.78 | Joback Calculated Property |
| η | 0.0012811 | Pa×s | 248.94 | Joback Calculated Property |
| η | 0.0007837 | Pa×s | 282.10 | Joback Calculated Property |
| η | 0.0005317 | Pa×s | 315.26 | Joback Calculated Property |
| η | 0.0003883 | Pa×s | 348.42 | Joback Calculated Property |
| η | 0.0002995 | Pa×s | 381.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-methyl-4-pentenal).
Sources
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