- InChI
- InChI=1S/C11H14O2/c1-11(13-12)8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,12H,4,6,8H2,1H3
- InChI Key
- BEVOTSGQUDZQKM-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CC1(OO)CCCc2ccccc21
- Molecular Weight1
- 178.23
- CAS
- 99964-59-7
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.5736 | Relay (... Calculated Property | |
| ΔcH°solid | -6172.20 | kJ/mol | NIST |
| ΔfG° | -54.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 12.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.19 | kJ/mol | Relay (... Calculated Property |
| IE | 8.64 | eV | Relay (... Calculated Property |
| log10WS | -2.55 | Relay (... Calculated Property | |
| logPoct/wat | 2.728 | Crippen Calculated Property | |
| McVol | 142.970 | ml/mol | McGowan Calculated Property |
| Pc | 3530.46 | kPa | Joback Calculated Property |
| Tboil | 533.74 | K | Relay (... Calculated Property |
| Tc | 792.32 | K | Relay (... Calculated Property |
| Tfus | 329.97 | K | Relay (... Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.12; 439.19] | J/mol×K | [608.59; 825.39] | 
|
| Cp,gas | 367.12 | J/mol×K | 608.59 | Joback Calculated Property |
| Cp,gas | 380.73 | J/mol×K | 644.72 | Joback Calculated Property |
| Cp,gas | 393.53 | J/mol×K | 680.86 | Joback Calculated Property |
| Cp,gas | 405.65 | J/mol×K | 716.99 | Joback Calculated Property |
| Cp,gas | 417.21 | J/mol×K | 753.12 | Joback Calculated Property |
| Cp,gas | 428.35 | J/mol×K | 789.25 | Joback Calculated Property |
| Cp,gas | 439.19 | J/mol×K | 825.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-1,2,3,4,-tetrahydronaphthalene-1-hydroperoxide.
Sources
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