- InChI
- InChI=1S/C14H21ClO/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,16H,1-6H3
- InChI Key
- CWSNVVXDGQVVDZ-UHFFFAOYSA-N
- Formula
- C14H21ClO
- SMILES
-
CC(C)(C)c1cc(Cl)c(O)c(C(C)(C)C
)c1 - Molecular Weight1
- 240.77
- CAS
- 4166-86-3
- Other Names
-
- Phenol, 4,6-di-tert-butyl-2-chloro-
- 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).
- 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).
- 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° | -0.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.16 | kJ/mol | Joback Calculated Property |
| log10WS | -4.33 | Crippen Calculated Property | |
| logPoct/wat | 4.641 | Crippen Calculated Property | |
| McVol | 202.470 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Tboil | 667.95 | K | Joback Calculated Property |
| Tc | 902.14 | K | Joback Calculated Property |
| Tfus | 445.48 | K | Joback Calculated Property |
| Vc | 0.705 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.77; 621.86] | J/mol×K | [667.95; 902.14] | 
|
| Cp,gas | 538.77 | J/mol×K | 667.95 | Joback Calculated Property |
| Cp,gas | 554.94 | J/mol×K | 706.98 | Joback Calculated Property |
| Cp,gas | 569.99 | J/mol×K | 746.01 | Joback Calculated Property |
| Cp,gas | 584.06 | J/mol×K | 785.04 | Joback Calculated Property |
| Cp,gas | 597.29 | J/mol×K | 824.07 | Joback Calculated Property |
| Cp,gas | 609.84 | J/mol×K | 863.11 | Joback Calculated Property |
| Cp,gas | 621.86 | J/mol×K | 902.14 | Joback Calculated Property |
| η | [0.0000133; 0.0004546] | Pa×s | [445.48; 667.95] |
|
| η | 0.0004546 | Pa×s | 445.48 | Joback Calculated Property |
| η | 0.0002012 | Pa×s | 482.56 | Joback Calculated Property |
| η | 0.0001001 | Pa×s | 519.64 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 556.72 | Joback Calculated Property |
| η | 0.0000321 | Pa×s | 593.79 | Joback Calculated Property |
| η | 0.0000201 | Pa×s | 630.87 | Joback Calculated Property |
| η | 0.0000133 | Pa×s | 667.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Ditert-butyl-6-chlorophenol.
Sources
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