- InChI
- InChI=1S/C13H20O/c1-9(2)10-7-6-8-11(12(10)14)13(3,4)5/h6-9,14H,1-5H3
- InChI Key
- LBLLGKZRDSWOJS-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CC(C)c1cccc(C(C)(C)C)c1O
- Molecular Weight1
- 192.30
- CAS
- 22791-95-3
- Other Names
-
- 2-tert-Butyl-6-isopropylphenol
- 2-Isopropyl-6-tert-butylphenol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -7644.00 | kJ/mol | NIST |
| ΔfG° | 7.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.00 | kJ/mol | NIST |
| ΔfH°liquid | -330.00 | kJ/mol | NIST |
| ΔfusH° | 17.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [89.00; 90.17] | kJ/mol |
|
| ΔvapH° | 90.17 | kJ/mol | NIST |
| ΔvapH° | 89.00 | kJ/mol | NIST |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.813 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2566.29 | kPa | Joback Calculated Property |
| Inp | [1382.70; 1382.70] |
|
|
| Inp | 1382.70 | NIST | |
| Inp | 1382.70 | NIST | |
| Tboil | 605.45 | K | Joback Calculated Property |
| Tc | 831.25 | K | Joback Calculated Property |
| Tfus | 374.35 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.90; 543.89] | J/mol×K | [605.45; 831.25] |
|
| Cp,gas | 457.90 | J/mol×K | 605.45 | Joback Calculated Property |
| Cp,gas | 474.73 | J/mol×K | 643.08 | Joback Calculated Property |
| Cp,gas | 490.42 | J/mol×K | 680.72 | Joback Calculated Property |
| Cp,gas | 505.07 | J/mol×K | 718.35 | Joback Calculated Property |
| Cp,gas | 518.79 | J/mol×K | 755.98 | Joback Calculated Property |
| Cp,gas | 531.69 | J/mol×K | 793.62 | Joback Calculated Property |
| Cp,gas | 543.89 | J/mol×K | 831.25 | Joback Calculated Property |
| η | [0.0000246; 0.0019883] | Pa×s | [374.35; 605.45] |
|
| η | 0.0019883 | Pa×s | 374.35 | Joback Calculated Property |
| η | 0.0006796 | Pa×s | 412.87 | Joback Calculated Property |
| η | 0.0002790 | Pa×s | 451.38 | Joback Calculated Property |
| η | 0.0001317 | Pa×s | 489.90 | Joback Calculated Property |
| η | 0.0000694 | Pa×s | 528.42 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 566.93 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 605.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(1,1-Dimethylethyl)-6-(1-methylethyl)phenol.
Sources
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