- InChI
- InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3
- InChI Key
- WYKYCHHWIJXDAO-UHFFFAOYSA-N
- Formula
- C12H24O3
- SMILES
- CCCCC(CC)C(=O)OOC(C)(C)C
- Molecular Weight1
- 216.32
- CAS
- 3006-82-4
- Other Names
-
- tert-butyl 2-ethylperoxyhexanoate
- 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).
- 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° | -288.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.476 | Crippen Calculated Property | |
| McVol | 193.250 | ml/mol | McGowan Calculated Property |
| Pc | 1867.55 | kPa | Joback Calculated Property |
| Tboil | 569.00 | K | Joback Calculated Property |
| Tc | 750.28 | K | Joback Calculated Property |
| Tfus | 306.81 | K | Joback Calculated Property |
| Vc | 0.733 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.31; 583.93] | J/mol×K | [569.00; 750.28] | 
|
| Cp,gas | 495.31 | J/mol×K | 569.00 | Joback Calculated Property |
| Cp,gas | 511.92 | J/mol×K | 599.21 | Joback Calculated Property |
| Cp,gas | 527.77 | J/mol×K | 629.43 | Joback Calculated Property |
| Cp,gas | 542.88 | J/mol×K | 659.64 | Joback Calculated Property |
| Cp,gas | 557.27 | J/mol×K | 689.85 | Joback Calculated Property |
| Cp,gas | 570.95 | J/mol×K | 720.06 | Joback Calculated Property |
| Cp,gas | 583.93 | J/mol×K | 750.28 | Joback Calculated Property |
| η | [0.0001282; 0.0035385] | Pa×s | [306.81; 569.00] |
|
| η | 0.0035385 | Pa×s | 306.81 | Joback Calculated Property |
| η | 0.0014420 | Pa×s | 350.51 | Joback Calculated Property |
| η | 0.0007171 | Pa×s | 394.21 | Joback Calculated Property |
| η | 0.0004099 | Pa×s | 437.90 | Joback Calculated Property |
| η | 0.0002594 | Pa×s | 481.60 | Joback Calculated Property |
| η | 0.0001771 | Pa×s | 525.30 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 569.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester.
Sources
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