- InChI
- InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
- InChI Key
- MRBKEAMVRSLQPH-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- COc1ccc(O)c(C(C)(C)C)c1
- Molecular Weight1
- 180.24
- CAS
- 121-00-6
- Other Names
-
- 2-tert-Butyl-4-methoxyphenol
- Phenol, 2-(1,1-dimethylethyl)-4-methoxy-
- Phenol, 2-tert-butyl-4-methoxy-
- 2-tert-Bha
- 3-BHA
- 4-Methoxy-2-tert-butylphenol
- 4-Methoxy-6-tert-butylphenol
- o-tert-Butyl-p-methoxyphenol
- 3-tert-Butyl-p-hydroxyanisole
- 3-(1,1-Dimethylethyl)-4-hydroxyanisole
- 2-(1,1-Dimethylethyl)-4-methoxyphenol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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° | -112.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.698 | Crippen Calculated Property | |
| McVol | 153.830 | ml/mol | McGowan Calculated Property |
| Pc | 3062.55 | kPa | Joback Calculated Property |
| Inp | [1496.00; 1497.00] |
|
|
| Inp | 1496.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Tboil | 582.55 | K | Joback Calculated Property |
| Tc | 809.07 | K | Joback Calculated Property |
| Tfus | 389.04 | K | Joback Calculated Property |
| Vc | 0.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.33; 460.74] | J/mol×K | [582.55; 809.07] |
|
| Cp,gas | 385.33 | J/mol×K | 582.55 | Joback Calculated Property |
| Cp,gas | 400.12 | J/mol×K | 620.30 | Joback Calculated Property |
| Cp,gas | 413.90 | J/mol×K | 658.06 | Joback Calculated Property |
| Cp,gas | 426.77 | J/mol×K | 695.81 | Joback Calculated Property |
| Cp,gas | 438.81 | J/mol×K | 733.56 | Joback Calculated Property |
| Cp,gas | 450.10 | J/mol×K | 771.32 | Joback Calculated Property |
| Cp,gas | 460.74 | J/mol×K | 809.07 | Joback Calculated Property |
| η | [0.0000295; 0.0010688] | Pa×s | [389.04; 582.55] |
|
| η | 0.0010688 | Pa×s | 389.04 | Joback Calculated Property |
| η | 0.0004674 | Pa×s | 421.29 | Joback Calculated Property |
| η | 0.0002299 | Pa×s | 453.54 | Joback Calculated Property |
| η | 0.0001242 | Pa×s | 485.79 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 518.05 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 550.30 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 582.55 | Joback Calculated Property |
| ΔvapH | 54.40 | kJ/mol | 433.00 | NIST |
Similar Compounds
Find more compounds similar to 3-tert-Butyl-4-hydroxyanisole.
Sources
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