- InChI
- InChI=1S/C7H14O2/c1-4-6(2)5-9-7(3)8/h6H,4-5H2,1-3H3/i1D3,2D3,4D2,6D
- InChI Key
- XHIUFYZDQBSEMF-YMNJYQJHSA-N
- Formula
- C7H5D9O2
- SMILES
- CCC(C)COC(C)=O
- Molecular Weight1
- 139.24
- 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° | -228.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.94 | kJ/mol | Joback Calculated Property |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| I | [1126.00; 1126.00] |
|
|
| I | 1126.00 | NIST | |
| I | 1126.00 | NIST | |
| Tboil | 435.41 | K | Joback Calculated Property |
| Tc | 615.76 | K | Joback Calculated Property |
| Tfus | 225.81 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.73; 301.45] | J/mol×K | [435.41; 615.76] |
|
| Cp,gas | 238.73 | J/mol×K | 435.41 | Joback Calculated Property |
| Cp,gas | 250.17 | J/mol×K | 465.47 | Joback Calculated Property |
| Cp,gas | 261.22 | J/mol×K | 495.53 | Joback Calculated Property |
| Cp,gas | 271.87 | J/mol×K | 525.58 | Joback Calculated Property |
| Cp,gas | 282.12 | J/mol×K | 555.64 | Joback Calculated Property |
| Cp,gas | 291.98 | J/mol×K | 585.70 | Joback Calculated Property |
| Cp,gas | 301.45 | J/mol×K | 615.76 | Joback Calculated Property |
| η | [0.0002542; 0.0047724] | Pa×s | [225.81; 435.41] |
|
| η | 0.0047724 | Pa×s | 225.81 | Joback Calculated Property |
| η | 0.0021099 | Pa×s | 260.74 | Joback Calculated Property |
| η | 0.0011312 | Pa×s | 295.68 | Joback Calculated Property |
| η | 0.0006919 | Pa×s | 330.61 | Joback Calculated Property |
| η | 0.0004649 | Pa×s | 365.54 | Joback Calculated Property |
| η | 0.0003348 | Pa×s | 400.48 | Joback Calculated Property |
| η | 0.0002542 | Pa×s | 435.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methylbutyl-d-9 acetate.
Sources
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