- InChI
- InChI=1S/C6H14O2/c1-2-3-4-5-6-8-7/h7H,2-6H2,1H3
- InChI Key
- RZICEOJUAFHYFO-UHFFFAOYSA-N
- Formula
- C6H14O2
- SMILES
- CCCCCCOO
- Molecular Weight1
- 118.17
- CAS
- 4312-76-9
- Other Names
-
- Hexyl hydroperoxide
- n-C6H13OOH
- 1-Hydroperoxyhexane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4062.00 ± 5.00 | kJ/mol | NIST |
| ΔfG° | -344.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.11 | kJ/mol | Joback Calculated Property |
| IE | [9.47; 9.85] | eV |
|
| IE | 9.47 ± 0.03 | eV | NIST |
| IE | 9.85 | eV | NIST |
| log10WS | -1.74 | Crippen Calculated Property | |
| logPoct/wat | 2.056 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Tboil | 482.19 | K | Joback Calculated Property |
| Tc | 671.20 | K | Joback Calculated Property |
| Tfus | 317.98 | K | Joback Calculated Property |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.87; 278.92] | J/mol×K | [482.19; 671.20] |
|
| Cp,gas | 225.87 | J/mol×K | 482.19 | Joback Calculated Property |
| Cp,gas | 235.84 | J/mol×K | 513.69 | Joback Calculated Property |
| Cp,gas | 245.34 | J/mol×K | 545.19 | Joback Calculated Property |
| Cp,gas | 254.38 | J/mol×K | 576.70 | Joback Calculated Property |
| Cp,gas | 262.98 | J/mol×K | 608.20 | Joback Calculated Property |
| Cp,gas | 271.15 | J/mol×K | 639.70 | Joback Calculated Property |
| Cp,gas | 278.92 | J/mol×K | 671.20 | Joback Calculated Property |
| η | [0.0002997; 0.0017439] | Pa×s | [317.98; 482.19] |
|
| η | 0.0017439 | Pa×s | 317.98 | Joback Calculated Property |
| η | 0.0011576 | Pa×s | 345.35 | Joback Calculated Property |
| η | 0.0008160 | Pa×s | 372.72 | Joback Calculated Property |
| η | 0.0006034 | Pa×s | 400.09 | Joback Calculated Property |
| η | 0.0004638 | Pa×s | 427.45 | Joback Calculated Property |
| η | 0.0003680 | Pa×s | 454.82 | Joback Calculated Property |
| η | 0.0002997 | Pa×s | 482.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydroperoxide, hexyl.
Sources
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