- InChI
- InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+/i1D3
- InChI Key
- UQPLEMTXCSYMEK-WSGLDHPBSA-N
- Formula
- C12H19D3O2
- SMILES
- CCCC=CCOC(=O)CCCCC
- Molecular Weight1
- 201.32
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5983 | Relay (... Calculated Property | |
| ΔfG° | -103.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.36 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.83 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -3.90 | Relay (... Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1937.24 | kPa | Joback Calculated Property |
| I | 1668.00 | NIST | |
| Tboil | 496.08 | K | Relay (... Calculated Property |
| Tc | 681.83 | K | Relay (... Calculated Property |
| Tfus | 200.89 | K | Relay (... Calculated Property |
| Vc | 0.677 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.74; 528.11] | J/mol×K | [554.41; 730.90] | 
|
| Cp,gas | 445.74 | J/mol×K | 554.41 | Joback Calculated Property |
| Cp,gas | 461.06 | J/mol×K | 583.82 | Joback Calculated Property |
| Cp,gas | 475.72 | J/mol×K | 613.24 | Joback Calculated Property |
| Cp,gas | 489.74 | J/mol×K | 642.65 | Joback Calculated Property |
| Cp,gas | 503.13 | J/mol×K | 672.07 | Joback Calculated Property |
| Cp,gas | 515.92 | J/mol×K | 701.48 | Joback Calculated Property |
| Cp,gas | 528.11 | J/mol×K | 730.90 | Joback Calculated Property |
| η | [0.0001595; 0.0028734] | Pa×s | [292.08; 554.41] |
|
| η | 0.0028734 | Pa×s | 292.08 | Joback Calculated Property |
| η | 0.0012967 | Pa×s | 335.80 | Joback Calculated Property |
| η | 0.0007029 | Pa×s | 379.52 | Joback Calculated Property |
| η | 0.0004324 | Pa×s | 423.25 | Joback Calculated Property |
| η | 0.0002914 | Pa×s | 466.97 | Joback Calculated Property |
| η | 0.0002101 | Pa×s | 510.69 | Joback Calculated Property |
| η | 0.0001595 | Pa×s | 554.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2E-hexenyl-d3 hexanoate.
Sources
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