- InChI
- InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+/i1D3
- InChI Key
- MBDOYVRWFFCFHM-TYYDCBDZSA-N
- Formula
- C6H7D3O
- SMILES
- CCCC=CC=O
- Molecular Weight1
- 101.16
- 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° | -19.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.63 | 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 | 3594.25 | kPa | Joback Calculated Property |
| I | 1202.00 | NIST | |
| Tboil | 389.50 | K | Joback Calculated Property |
| Tc | 570.95 | K | Joback Calculated Property |
| Tfus | 194.30 | K | Joback Calculated Property |
| Vc | 0.368 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.69; 215.09] | J/mol×K | [389.50; 570.95] | 
|
| Cp,gas | 164.69 | J/mol×K | 389.50 | Joback Calculated Property |
| Cp,gas | 174.16 | J/mol×K | 419.74 | Joback Calculated Property |
| Cp,gas | 183.18 | J/mol×K | 449.98 | Joback Calculated Property |
| Cp,gas | 191.76 | J/mol×K | 480.23 | Joback Calculated Property |
| Cp,gas | 199.93 | J/mol×K | 510.47 | Joback Calculated Property |
| Cp,gas | 207.70 | J/mol×K | 540.71 | Joback Calculated Property |
| Cp,gas | 215.09 | J/mol×K | 570.95 | Joback Calculated Property |
| η | [0.0002617; 0.0038680] | Pa×s | [194.30; 389.50] |
|
| η | 0.0038680 | Pa×s | 194.30 | Joback Calculated Property |
| η | 0.0017894 | Pa×s | 226.83 | Joback Calculated Property |
| η | 0.0010044 | Pa×s | 259.37 | Joback Calculated Property |
| η | 0.0006413 | Pa×s | 291.90 | Joback Calculated Property |
| η | 0.0004480 | Pa×s | 324.43 | Joback Calculated Property |
| η | 0.0003341 | Pa×s | 356.97 | Joback Calculated Property |
| η | 0.0002617 | Pa×s | 389.50 | Joback Calculated Property |
Similar Compounds
![[2,3-2H2]-(E)-2-Octenal.](data:image/png;base64,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)
Find more compounds similar to 2E-hexenal-d3.
Sources
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