- 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
-
- 1-Hydroperoxyhexane
- Hexyl hydroperoxide
- n-C6H13OOH
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.6493 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4062.00 ± 5.00 | kJ/mol | NIST |
| ΔfG° | -242.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.47; 9.85] | eV |
|
| IE | 9.47 ± 0.03 | eV | NIST |
| IE | 9.85 | eV | NIST |
| log10WS | -1.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.056 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3384.14 | kPa | Joback Calculated Property |
| Tboil | 422.68 | K | Relay (1.0) Calculated Property |
| Tc | 637.40 | K | Relay (1.0) Calculated Property |
| Tfus | 280.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.26; 282.11] | J/mol×K | [451.48; 612.83] |
|
| Cp,gas | 230.26 | J/mol×K | 451.48 | Joback Calculated Property |
| Cp,gas | 239.62 | J/mol×K | 478.37 | Joback Calculated Property |
| Cp,gas | 248.69 | J/mol×K | 505.26 | Joback Calculated Property |
| Cp,gas | 257.47 | J/mol×K | 532.15 | Joback Calculated Property |
| Cp,gas | 265.97 | J/mol×K | 559.04 | Joback Calculated Property |
| Cp,gas | 274.18 | J/mol×K | 585.94 | Joback Calculated Property |
| Cp,gas | 282.11 | J/mol×K | 612.83 | Joback Calculated Property |
| η | [0.0001900; 0.0374067] | Pa×s | [240.43; 451.48] |
|
| η | 0.0374067 | Pa×s | 240.43 | Joback Calculated Property |
| η | 0.0088422 | Pa×s | 275.61 | Joback Calculated Property |
| η | 0.0028971 | Pa×s | 310.78 | Joback Calculated Property |
| η | 0.0011910 | Pa×s | 345.95 | Joback Calculated Property |
| η | 0.0005769 | Pa×s | 381.13 | Joback Calculated Property |
| η | 0.0003159 | Pa×s | 416.30 | Joback Calculated Property |
| η | 0.0001900 | Pa×s | 451.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hydroperoxide, hexyl.
Sources
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