![1,1-Dimethyl-1-methyl-1-[(4-methylethyl)phenyl]ethyl peroxide](/cid/50-738-7/1-1-Dimethyl-1-methyl-1-4-methylethyl-phenyl-ethyl-peroxide.png "1,1-Dimethyl-1-methyl-1-[(4-methylethyl)phenyl]ethyl peroxide")
- InChI
- InChI=1S/C16H26O2/c1-12(2)13-8-10-14(11-9-13)16(6,7)18-17-15(3,4)5/h8-12H,1-7H3
- InChI Key
- QGABUHGYHVKOCM-UHFFFAOYSA-N
- Formula
- C16H26O2
- SMILES
-
CC(C)c1ccc(C(C)(C)OOC(C)(C)C)c
c1 - Molecular Weight1
- 250.38
- Other Names
-
- Peroxide, 1,1-dimethylethyl 1-methyl-1-[4-(1-methylethyl)phenyl]ethyl
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -9659.90 ± 5.00 | kJ/mol | NIST |
| ΔfH°liquid | -352.10 ± 5.00 | kJ/mol | NIST |
| ΔfusH° | 14.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.792 | Crippen Calculated Property | |
| McVol | 224.280 | ml/mol | McGowan Calculated Property |
| Pc | 1699.10 | kPa | Joback Calculated Property |
| Tboil | 531.42 | K | Relay (1.0) Calculated Property |
| Tc | 741.98 | K | Relay (1.0) Calculated Property |
| Tfus | 308.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.877 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.65; 712.29] | J/mol×K | [635.08; 847.08] | 
|
| Cp,gas | 609.65 | J/mol×K | 635.08 | Joback Calculated Property |
| Cp,gas | 629.73 | J/mol×K | 670.41 | Joback Calculated Property |
| Cp,gas | 648.54 | J/mol×K | 705.75 | Joback Calculated Property |
| Cp,gas | 666.15 | J/mol×K | 741.08 | Joback Calculated Property |
| Cp,gas | 682.60 | J/mol×K | 776.42 | Joback Calculated Property |
| Cp,gas | 697.97 | J/mol×K | 811.75 | Joback Calculated Property |
| Cp,gas | 712.29 | J/mol×K | 847.08 | Joback Calculated Property |
| η | [0.0000656; 0.0020216] | Pa×s | [343.32; 635.08] |
|
| η | 0.0020216 | Pa×s | 343.32 | Joback Calculated Property |
| η | 0.0008009 | Pa×s | 391.95 | Joback Calculated Property |
| η | 0.0003892 | Pa×s | 440.57 | Joback Calculated Property |
| η | 0.0002184 | Pa×s | 489.20 | Joback Calculated Property |
| η | 0.0001360 | Pa×s | 537.83 | Joback Calculated Property |
| η | 0.0000916 | Pa×s | 586.45 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 635.08 | Joback Calculated Property |
| ΔvapH | 73.30 ± 5.00 | kJ/mol | 307.00 | NIST |
Similar Compounds
Find more compounds similar to 1,1-Dimethyl-1-methyl-1-[(4-methylethyl)phenyl]ethyl peroxide.
Sources
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