- InChI
- InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
- InChI Key
- BGNXCDMCOKJUMV-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- CC(C)(C)c1cc(O)ccc1O
- Molecular Weight1
- 166.22
- CAS
- 1948-33-0
- Other Names
-
- 1,4-Benzenediol, 2-(1,1-dimethylethyl)-
- Hydroquinone, tert-butyl-
- tert-Butyl-1,4-Benzenediol
- tert-Butylhydroquinone
- Mono-tert-butylhydroquinone
- MTBHQ
- TBHQ
- Mono-tertiarybutylhydroquinone
- 2-tert-Butyl-1,4-benzenediol
- 2-tert-Butylhydroquinone
- Sustane
- Tenox TBHQ
- 2-t-Butyl-1,4-benzenediol
- 2-(1,1-Dimethylethyl)-1,4-benzenediol
- Eastman MTBHQ
- 2-t-Butylhydroquinone
- Banox 20BA
- NSC 4972
- 2-tert-butyl-1,4-dihydroxybenzene
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Inp : Non-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° | -160.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.85 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 104.40 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 64.86 | kJ/mol | Joback Calculated Property |
| log10WS | -1.88 | Crippen Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 4271.86 | kPa | Joback Calculated Property |
| Inp | 1566.00 | NIST | |
| Tboil | 612.89 | K | Joback Calculated Property |
| Tc | 856.37 | K | Joback Calculated Property |
| Tfus | 454.74 | K | Joback Calculated Property |
| Vc | 0.408 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.71; 429.06] | J/mol×K | [612.89; 856.37] | 
|
| Cp,gas | 364.71 | J/mol×K | 612.89 | Joback Calculated Property |
| Cp,gas | 377.38 | J/mol×K | 653.47 | Joback Calculated Property |
| Cp,gas | 389.01 | J/mol×K | 694.05 | Joback Calculated Property |
| Cp,gas | 399.81 | J/mol×K | 734.63 | Joback Calculated Property |
| Cp,gas | 409.96 | J/mol×K | 775.21 | Joback Calculated Property |
| Cp,gas | 419.64 | J/mol×K | 815.79 | Joback Calculated Property |
| Cp,gas | 429.06 | J/mol×K | 856.37 | Joback Calculated Property |
| η | [0.0000048; 0.0001976] | Pa×s | [454.74; 612.89] |
|
| η | 0.0001976 | Pa×s | 454.74 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 481.10 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 507.46 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 533.82 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 560.17 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 586.53 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 612.89 | Joback Calculated Property |
| ΔfusH | 27.74 | kJ/mol | 350.90 | NIST |
| ΔsubH | 101.20 ± 1.30 | kJ/mol | 350.50 | NIST |
Similar Compounds
Find more compounds similar to t-Butylhydroquinone.
Sources
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