- InChI
- InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+/i1D3
- InChI Key
- HRHOWZHRCRZVCU-KWUDEMAWSA-N
- Formula
- C8H11D3O2
- SMILES
- CCCC=CCOC(C)=O
- Molecular Weight1
- 145.21
- 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).
- 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° | -137.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.52 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| I | [1329.00; 1329.00] |
|
|
| I | 1329.00 | NIST | |
| I | 1329.00 | NIST | |
| Tboil | 462.89 | K | Joback Calculated Property |
| Tc | 646.21 | K | Joback Calculated Property |
| Tfus | 247.00 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [263.30; 327.49] | J/mol×K | [462.89; 646.21] |
|
| Cp,gas | 263.30 | J/mol×K | 462.89 | Joback Calculated Property |
| Cp,gas | 275.19 | J/mol×K | 493.44 | Joback Calculated Property |
| Cp,gas | 286.60 | J/mol×K | 524.00 | Joback Calculated Property |
| Cp,gas | 297.52 | J/mol×K | 554.55 | Joback Calculated Property |
| Cp,gas | 307.96 | J/mol×K | 585.10 | Joback Calculated Property |
| Cp,gas | 317.95 | J/mol×K | 615.66 | Joback Calculated Property |
| Cp,gas | 327.49 | J/mol×K | 646.21 | Joback Calculated Property |
| η | [0.0002123; 0.0030324] | Pa×s | [247.00; 462.89] |
|
| η | 0.0030324 | Pa×s | 247.00 | Joback Calculated Property |
| η | 0.0014687 | Pa×s | 282.98 | Joback Calculated Property |
| η | 0.0008378 | Pa×s | 318.96 | Joback Calculated Property |
| η | 0.0005355 | Pa×s | 354.94 | Joback Calculated Property |
| η | 0.0003717 | Pa×s | 390.93 | Joback Calculated Property |
| η | 0.0002744 | Pa×s | 426.91 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 462.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2E-hexenyl-d3 acetate.
Sources
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