- InChI
- InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+/i1D3
- InChI Key
- JKKGTSUICJWEKB-ZRNNCLBUSA-N
- Formula
- C11H17D3O2
- SMILES
- CCC=CCCOC(=O)C(C)CC
- Molecular Weight1
- 187.29
- 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 | 0.5067 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.932 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2127.56 | kPa | Joback Calculated Property |
| I | [1477.00; 1477.00] |
|
|
| I | 1477.00 | NIST | |
| I | 1477.00 | NIST | |
| Tboil | 460.93 | K | Relay (1.0) Calculated Property |
| Tc | 659.96 | K | Relay (1.0) Calculated Property |
| Tfus | 191.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.61; 477.89] | J/mol×K | [531.09; 712.68] |
|
| Cp,gas | 397.61 | J/mol×K | 531.09 | Joback Calculated Property |
| Cp,gas | 412.58 | J/mol×K | 561.36 | Joback Calculated Property |
| Cp,gas | 426.88 | J/mol×K | 591.62 | Joback Calculated Property |
| Cp,gas | 440.55 | J/mol×K | 621.89 | Joback Calculated Property |
| Cp,gas | 453.60 | J/mol×K | 652.15 | Joback Calculated Property |
| Cp,gas | 466.04 | J/mol×K | 682.42 | Joback Calculated Property |
| Cp,gas | 477.89 | J/mol×K | 712.68 | Joback Calculated Property |
| η | [0.0001638; 0.0042170] | Pa×s | [265.81; 531.09] |
|
| η | 0.0042170 | Pa×s | 265.81 | Joback Calculated Property |
| η | 0.0016682 | Pa×s | 310.02 | Joback Calculated Property |
| η | 0.0008318 | Pa×s | 354.24 | Joback Calculated Property |
| η | 0.0004840 | Pa×s | 398.45 | Joback Calculated Property |
| η | 0.0003138 | Pa×s | 442.66 | Joback Calculated Property |
| η | 0.0002201 | Pa×s | 486.88 | Joback Calculated Property |
| η | 0.0001638 | Pa×s | 531.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to d3-2E-hexenyl 2-methylbutanoate.
Sources
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