- InChI
- InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9,16H,1-7H3
- InChI Key
- ZZZRZBIPCKQDQR-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
- Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
- Molecular Weight1
- 220.35
- CAS
- 616-55-7
- Other Names
-
- Phenol, 2,4-bis(1,1-dimethylethyl)-6-methyl-
- 6-Methyl-2,4-di-tert-butyl-phenol
- 4,6-Di-(1,1-dimethylethyl)-2-methyl phenol
- 2,4-Di-t-butyl-6-methylphenol
- 4,6-di-tert-butyl-o-cresol
- 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).
- 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° | 19.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -334.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 4.296 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| I | [1904.00; 1904.00] |
|
|
| I | 1904.00 | NIST | |
| I | 1904.00 | NIST | |
| Tboil | 542.20 | K | NIST |
| Tc | 880.13 | K | Joback Calculated Property |
| Tfus | 426.83 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [562.55; 654.63] | J/mol×K | [653.40; 880.13] |
|
| Cp,gas | 562.55 | J/mol×K | 653.40 | Joback Calculated Property |
| Cp,gas | 580.43 | J/mol×K | 691.19 | Joback Calculated Property |
| Cp,gas | 597.12 | J/mol×K | 728.98 | Joback Calculated Property |
| Cp,gas | 612.75 | J/mol×K | 766.77 | Joback Calculated Property |
| Cp,gas | 627.45 | J/mol×K | 804.56 | Joback Calculated Property |
| Cp,gas | 641.37 | J/mol×K | 842.35 | Joback Calculated Property |
| Cp,gas | 654.63 | J/mol×K | 880.13 | Joback Calculated Property |
| η | [0.0000139; 0.0006069] | Pa×s | [426.83; 653.40] |
|
| η | 0.0006069 | Pa×s | 426.83 | Joback Calculated Property |
| η | 0.0002505 | Pa×s | 464.59 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 502.35 | Joback Calculated Property |
| η | 0.0000618 | Pa×s | 540.12 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 577.88 | Joback Calculated Property |
| η | 0.0000215 | Pa×s | 615.64 | Joback Calculated Property |
| η | 0.0000139 | Pa×s | 653.40 | Joback Calculated Property |
| ΔvapH | 59.80 | kJ/mol | 451.00 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-.
Sources
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