![[2,3-2H2]-(E)-2-Octenal](/cid/30-903-5/2-3-2H2-E-2-Octenal.png "[2,3-2H2]-(E)-2-Octenal")
- InChI
- InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+/i6D,7D
- InChI Key
- LVBXEMGDVWVTGY-ITRJFYCISA-N
- Formula
- C8H12D2O
- SMILES
- CCCCCC=CC=O
- Molecular Weight1
- 128.21
- 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 |
|---|---|---|---|
| ΔfG° | -2.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [1059.00; 1059.00] |
|
|
| Inp | 1059.00 | NIST | |
| Inp | 1059.00 | NIST | |
| I | [1424.00; 1428.00] |
|
|
| I | 1424.00 | NIST | |
| I | 1428.00 | NIST | |
| I | 1424.00 | NIST | |
| Tboil | 435.26 | K | Joback Calculated Property |
| Tc | 614.34 | K | Joback Calculated Property |
| Tfus | 216.84 | K | Joback Calculated Property |
| Vc | 0.480 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.07; 304.43] | J/mol×K | [435.26; 614.34] |
|
| Cp,gas | 241.07 | J/mol×K | 435.26 | Joback Calculated Property |
| Cp,gas | 252.93 | J/mol×K | 465.11 | Joback Calculated Property |
| Cp,gas | 264.25 | J/mol×K | 494.95 | Joback Calculated Property |
| Cp,gas | 275.03 | J/mol×K | 524.80 | Joback Calculated Property |
| Cp,gas | 285.31 | J/mol×K | 554.65 | Joback Calculated Property |
| Cp,gas | 295.10 | J/mol×K | 584.49 | Joback Calculated Property |
| Cp,gas | 304.43 | J/mol×K | 614.34 | Joback Calculated Property |
| η | [0.0002628; 0.0045537] | Pa×s | [216.84; 435.26] |
|
| η | 0.0045537 | Pa×s | 216.84 | Joback Calculated Property |
| η | 0.0020114 | Pa×s | 253.24 | Joback Calculated Property |
| η | 0.0010910 | Pa×s | 289.65 | Joback Calculated Property |
| η | 0.0006784 | Pa×s | 326.05 | Joback Calculated Property |
| η | 0.0004641 | Pa×s | 362.45 | Joback Calculated Property |
| η | 0.0003402 | Pa×s | 398.86 | Joback Calculated Property |
| η | 0.0002628 | Pa×s | 435.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to [2,3-2H2]-(E)-2-Octenal.
Sources
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