- InChI
- InChI=1S/C10H20O2/c1-5-6-7-8-9(11)12-10(2,3)4/h5-8H2,1-4H3
- InChI Key
- DANUJARGWMPVQX-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCCCC(=O)OC(C)(C)C
- Molecular Weight1
- 172.26
- CAS
- 2492-18-4
- Other Names
-
- tert-butyl hexanoate
- 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° | -197.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.71 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.908 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | [1055.00; 1060.00] |
|
|
| Inp | 1055.00 | NIST | |
| Inp | 1060.00 | NIST | |
| I | 1227.00 | NIST | |
| Tboil | 501.26 | K | Joback Calculated Property |
| Tc | 683.58 | K | Joback Calculated Property |
| Tfus | 277.04 | K | Joback Calculated Property |
| Vc | 0.609 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.98; 452.15] | J/mol×K | [501.26; 683.58] |
|
| Cp,gas | 370.98 | J/mol×K | 501.26 | Joback Calculated Property |
| Cp,gas | 386.18 | J/mol×K | 531.65 | Joback Calculated Property |
| Cp,gas | 400.69 | J/mol×K | 562.03 | Joback Calculated Property |
| Cp,gas | 414.52 | J/mol×K | 592.42 | Joback Calculated Property |
| Cp,gas | 427.70 | J/mol×K | 622.81 | Joback Calculated Property |
| Cp,gas | 440.23 | J/mol×K | 653.19 | Joback Calculated Property |
| Cp,gas | 452.15 | J/mol×K | 683.58 | Joback Calculated Property |
| η | [0.0002157; 0.0043525] | Pa×s | [277.04; 501.26] |
|
| η | 0.0043525 | Pa×s | 277.04 | Joback Calculated Property |
| η | 0.0019589 | Pa×s | 314.41 | Joback Calculated Property |
| η | 0.0010446 | Pa×s | 351.78 | Joback Calculated Property |
| η | 0.0006286 | Pa×s | 389.15 | Joback Calculated Property |
| η | 0.0004134 | Pa×s | 426.52 | Joback Calculated Property |
| η | 0.0002909 | Pa×s | 463.89 | Joback Calculated Property |
| η | 0.0002157 | Pa×s | 501.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 1,1-dimethylethyl ester.
Sources
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