- InChI
- InChI=1S/C13H26O2/c1-4-6-7-8-9-10-13(14)15-11-12(3)5-2/h12H,4-11H2,1-3H3/i2D3
- InChI Key
- XZLBJDGPIWDVIJ-BMSJAHLVSA-N
- Formula
- C13H23D3O2
- SMILES
- CCCCCCCC(=O)OCC(C)CC
- Molecular Weight1
- 217.36
- 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° | -177.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.936 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1718.88 | kPa | Joback Calculated Property |
| I | [1655.00; 1655.00] |
|
|
| I | 1655.00 | NIST | |
| I | 1655.00 | NIST | |
| Tboil | 572.69 | K | Joback Calculated Property |
| Tc | 744.36 | K | Joback Calculated Property |
| Tfus | 293.43 | K | Joback Calculated Property |
| Vc | 0.781 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.10; 605.00] | J/mol×K | [572.69; 744.36] |
|
| Cp,gas | 515.10 | J/mol×K | 572.69 | Joback Calculated Property |
| Cp,gas | 531.74 | J/mol×K | 601.30 | Joback Calculated Property |
| Cp,gas | 547.70 | J/mol×K | 629.91 | Joback Calculated Property |
| Cp,gas | 563.00 | J/mol×K | 658.53 | Joback Calculated Property |
| Cp,gas | 577.64 | J/mol×K | 687.14 | Joback Calculated Property |
| Cp,gas | 591.64 | J/mol×K | 715.75 | Joback Calculated Property |
| Cp,gas | 605.00 | J/mol×K | 744.36 | Joback Calculated Property |
| η | [0.0001594; 0.0040106] | Pa×s | [293.43; 572.69] |
|
| η | 0.0040106 | Pa×s | 293.43 | Joback Calculated Property |
| η | 0.0016218 | Pa×s | 339.97 | Joback Calculated Property |
| η | 0.0008156 | Pa×s | 386.52 | Joback Calculated Property |
| η | 0.0004755 | Pa×s | 433.06 | Joback Calculated Property |
| η | 0.0003078 | Pa×s | 479.60 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 526.15 | Joback Calculated Property |
| η | 0.0001594 | Pa×s | 572.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methylbutyl-d-3 octanoate.
Sources
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