- InChI
- InChI=1S/C11H22O2/c1-5-6-7-8-9-13-10(12)11(2,3)4/h5-9H2,1-4H3
- InChI Key
- RQSINLZXJXXKOH-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCCOC(=O)C(C)(C)C
- Molecular Weight1
- 186.29
- CAS
- 5434-57-1
- Other Names
-
- Hexyl neopentanoate
- Hexyl pivalate
- Pivalic acid, hexyl ester
- 1-Hexyl pivalate
- Hexyl 2,2-dimethylpropionate
- Propanoic acid, 2,2-dimethyl-, n-hexyl ester
- 2,2-Dimethylpropionic acid, hexyl ester
- n-Hexyl pivalate
- NSC 15684
- 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° | -189.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2049.31 | kPa | Joback Calculated Property |
| Inp | 1163.00 | NIST | |
| I | 1328.00 | NIST | |
| Tboil | 524.14 | K | Joback Calculated Property |
| Tc | 704.63 | K | Joback Calculated Property |
| Tfus | 288.31 | K | Joback Calculated Property |
| Vc | 0.664 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.15; 503.23] | J/mol×K | [524.14; 704.63] | 
|
| Cp,gas | 418.15 | J/mol×K | 524.14 | Joback Calculated Property |
| Cp,gas | 434.09 | J/mol×K | 554.22 | Joback Calculated Property |
| Cp,gas | 449.29 | J/mol×K | 584.30 | Joback Calculated Property |
| Cp,gas | 463.79 | J/mol×K | 614.38 | Joback Calculated Property |
| Cp,gas | 477.60 | J/mol×K | 644.47 | Joback Calculated Property |
| Cp,gas | 490.74 | J/mol×K | 674.55 | Joback Calculated Property |
| Cp,gas | 503.23 | J/mol×K | 704.63 | Joback Calculated Property |
| η | [0.0001946; 0.0041126] | Pa×s | [288.31; 524.14] |
|
| η | 0.0041126 | Pa×s | 288.31 | Joback Calculated Property |
| η | 0.0018231 | Pa×s | 327.62 | Joback Calculated Property |
| η | 0.0009620 | Pa×s | 366.92 | Joback Calculated Property |
| η | 0.0005745 | Pa×s | 406.23 | Joback Calculated Property |
| η | 0.0003757 | Pa×s | 445.53 | Joback Calculated Property |
| η | 0.0002633 | Pa×s | 484.84 | Joback Calculated Property |
| η | 0.0001946 | Pa×s | 524.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,2-dimethyl-, hexyl ester.
Sources
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