- InChI
- InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
- InChI Key
- NCCTVAJNFXYWTM-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CC(C)(C)C1=CC(=O)C=CC1=O
- Molecular Weight1
- 164.20
- CAS
- 3602-55-9
- Other Names
-
- 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-
- p-Benzoquinone, 2-tert-butyl-
- tert-Butyl-1,4-benzoquinone
- tert-Butylbenzoquinone
- tert-Butylquinone
- 2-tert-Butyl-p-benzoquinone
- 2-tert-Butyl-1,4-benzoquinone
- 2-tert-Butyl quinone
- 2-tert-Butyl-p-quinone
- 2,5-Cyclohexadien-1,4-dione, 2-(1,1-dimethylethyl)-
- 2-(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione
- NSC 124503
- p-Benzoquinone, tert-butyl-
- 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).
- 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).
- I : Polar retention indices.
- 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° | -126.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.04 | kJ/mol | Joback Calculated Property |
| log10WS | -1.93 | Crippen Calculated Property | |
| logPoct/wat | 1.667 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3107.10 | kPa | Joback Calculated Property |
| I | 2295.00 | NIST | |
| Tboil | 588.13 | K | Joback Calculated Property |
| Tc | 836.96 | K | Joback Calculated Property |
| Tfus | 366.98 | K | Joback Calculated Property |
| Vc | 0.504 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.21; 414.92] | J/mol×K | [588.13; 836.96] | 
|
| Cp,gas | 333.21 | J/mol×K | 588.13 | Joback Calculated Property |
| Cp,gas | 349.40 | J/mol×K | 629.60 | Joback Calculated Property |
| Cp,gas | 364.58 | J/mol×K | 671.07 | Joback Calculated Property |
| Cp,gas | 378.73 | J/mol×K | 712.55 | Joback Calculated Property |
| Cp,gas | 391.84 | J/mol×K | 754.02 | Joback Calculated Property |
| Cp,gas | 403.91 | J/mol×K | 795.49 | Joback Calculated Property |
| Cp,gas | 414.92 | J/mol×K | 836.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to tert-Butyl-p-benzoquinone.
Sources
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