- InChI
- InChI=1S/C11H22O2/c1-8(2)6-11(7-9(3)4)13-10(5)12/h8-9,11H,6-7H2,1-5H3
- InChI Key
- XLJDNKNPKUBQMX-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CC(=O)OC(CC(C)C)CC(C)C
- Molecular Weight1
- 186.29
- CAS
- 10250-45-0
- Other Names
-
- Diisobutylcarbinyl acetate
- 2,6-Dimethylheptyl-4-acetate
- 3-Methyl-1-isobutylbutyl acetate
- 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).
- Inp : Non-polar retention indices.
- 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° | -199.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.07 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 3.010 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2058.62 | kPa | Joback Calculated Property |
| Inp | 1092.00 | NIST | |
| I | 1265.00 | NIST | |
| Tboil | 526.05 | K | Joback Calculated Property |
| Tc | 707.25 | K | Joback Calculated Property |
| Tfus | 240.89 | K | Joback Calculated Property |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.95; 502.44] | J/mol×K | [526.05; 707.25] | 
|
| Cp,gas | 415.95 | J/mol×K | 526.05 | Joback Calculated Property |
| Cp,gas | 432.00 | J/mol×K | 556.25 | Joback Calculated Property |
| Cp,gas | 447.38 | J/mol×K | 586.45 | Joback Calculated Property |
| Cp,gas | 462.10 | J/mol×K | 616.65 | Joback Calculated Property |
| Cp,gas | 476.18 | J/mol×K | 646.85 | Joback Calculated Property |
| Cp,gas | 489.63 | J/mol×K | 677.05 | Joback Calculated Property |
| Cp,gas | 502.44 | J/mol×K | 707.25 | Joback Calculated Property |
| η | [0.0001720; 0.0105209] | Pa×s | [240.89; 526.05] |
|
| η | 0.0105209 | Pa×s | 240.89 | Joback Calculated Property |
| η | 0.0030130 | Pa×s | 288.42 | Joback Calculated Property |
| η | 0.0012291 | Pa×s | 335.94 | Joback Calculated Property |
| η | 0.0006262 | Pa×s | 383.47 | Joback Calculated Property |
| η | 0.0003702 | Pa×s | 431.00 | Joback Calculated Property |
| η | 0.0002429 | Pa×s | 478.52 | Joback Calculated Property |
| η | 0.0001720 | Pa×s | 526.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptanol, 2,6-dimethyl-, acetate.
Sources
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