- InChI
- InChI=1S/C11H22O2/c1-6-13-10(12)7-9(2)8-11(3,4)5/h9H,6-8H2,1-5H3
- InChI Key
- NMZMQQBBZRGLPJ-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 186.29
- 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.
- 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° | -191.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Crippen Calculated Property | |
| logPoct/wat | 3.012 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2064.24 | kPa | Joback Calculated Property |
| Inp | [1151.00; 1151.00] |
|
|
| Inp | 1151.00 | NIST | |
| Inp | 1151.00 | NIST | |
| Tboil | 523.70 | K | Joback Calculated Property |
| Tc | 707.84 | K | Joback Calculated Property |
| Tfus | 273.31 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.38; 505.25] | J/mol×K | [523.70; 707.84] |
|
| Cp,gas | 418.38 | J/mol×K | 523.70 | Joback Calculated Property |
| Cp,gas | 434.70 | J/mol×K | 554.39 | Joback Calculated Property |
| Cp,gas | 450.26 | J/mol×K | 585.08 | Joback Calculated Property |
| Cp,gas | 465.08 | J/mol×K | 615.77 | Joback Calculated Property |
| Cp,gas | 479.16 | J/mol×K | 646.46 | Joback Calculated Property |
| Cp,gas | 492.55 | J/mol×K | 677.15 | Joback Calculated Property |
| Cp,gas | 505.25 | J/mol×K | 707.84 | Joback Calculated Property |
| η | [0.0001835; 0.0059930] | Pa×s | [273.31; 523.70] |
|
| η | 0.0059930 | Pa×s | 273.31 | Joback Calculated Property |
| η | 0.0022813 | Pa×s | 315.04 | Joback Calculated Property |
| η | 0.0010885 | Pa×s | 356.77 | Joback Calculated Property |
| η | 0.0006065 | Pa×s | 398.50 | Joback Calculated Property |
| η | 0.0003775 | Pa×s | 440.24 | Joback Calculated Property |
| η | 0.0002551 | Pa×s | 481.97 | Joback Calculated Property |
| η | 0.0001835 | Pa×s | 523.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, ethyl ester.
Sources
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