- InChI
- InChI=1S/C12H24O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h3-11H2,1-2H3/i1D3,3D2,5D2,7D2,8D2,9D2,10D2
- InChI Key
- PSXNDMJWRZYVTM-ISBLNHRESA-N
- Formula
- C12H9D15O2
- SMILES
- CCCCCCCC(=O)OCCCC
- Molecular Weight1
- 215.41
- 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° | -183.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.46 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| I | [1596.00; 1596.00] |
|
|
| I | 1596.00 | NIST | |
| I | 1596.00 | NIST | |
| Tboil | 550.25 | K | Joback Calculated Property |
| Tc | 720.05 | K | Joback Calculated Property |
| Tfus | 297.16 | K | Joback Calculated Property |
| Vc | 0.732 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.17; 549.22] | J/mol×K | [550.25; 720.05] |
|
| Cp,gas | 464.17 | J/mol×K | 550.25 | Joback Calculated Property |
| Cp,gas | 479.84 | J/mol×K | 578.55 | Joback Calculated Property |
| Cp,gas | 494.90 | J/mol×K | 606.85 | Joback Calculated Property |
| Cp,gas | 509.36 | J/mol×K | 635.15 | Joback Calculated Property |
| Cp,gas | 523.23 | J/mol×K | 663.45 | Joback Calculated Property |
| Cp,gas | 536.51 | J/mol×K | 691.75 | Joback Calculated Property |
| Cp,gas | 549.22 | J/mol×K | 720.05 | Joback Calculated Property |
| η | [0.0001878; 0.0030867] | Pa×s | [297.16; 550.25] |
|
| η | 0.0030867 | Pa×s | 297.16 | Joback Calculated Property |
| η | 0.0014485 | Pa×s | 339.34 | Joback Calculated Property |
| η | 0.0008035 | Pa×s | 381.52 | Joback Calculated Property |
| η | 0.0005012 | Pa×s | 423.70 | Joback Calculated Property |
| η | 0.0003406 | Pa×s | 465.89 | Joback Calculated Property |
| η | 0.0002467 | Pa×s | 508.07 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 550.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butyl octanoate-d15.
Sources
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