- InChI
- InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3
- InChI Key
- PRLINSMUYJWPBL-UHFFFAOYSA-N
- Formula
- C10H13ClO
- SMILES
- CC(C)(C)c1ccc(O)c(Cl)c1
- Molecular Weight1
- 184.66
- CAS
- 98-28-2
- Other Names
-
- Phenol, 2-chloro-4-(1,1-dimethylethyl)-
- Phenol, 4-tert-butyl-2-chloro-
- 2-Chloro-4-tert-butylphenol
- Phenol, 2-chloro, 4-t-butyl
- 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).
- 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° | -27.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 3.343 | Crippen Calculated Property | |
| McVol | 146.110 | ml/mol | McGowan Calculated Property |
| Pc | 3337.38 | kPa | Joback Calculated Property |
| Inp | [1487.00; 1487.00] |
|
|
| Inp | 1487.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Tboil | 574.68 | K | Joback Calculated Property |
| Tc | 812.94 | K | Joback Calculated Property |
| Tfus | 385.46 | K | Joback Calculated Property |
| Vc | 0.491 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.45; 406.76] | J/mol×K | [574.68; 812.94] |
|
| Cp,gas | 340.45 | J/mol×K | 574.68 | Joback Calculated Property |
| Cp,gas | 353.77 | J/mol×K | 614.39 | Joback Calculated Property |
| Cp,gas | 366.02 | J/mol×K | 654.10 | Joback Calculated Property |
| Cp,gas | 377.32 | J/mol×K | 693.81 | Joback Calculated Property |
| Cp,gas | 387.80 | J/mol×K | 733.52 | Joback Calculated Property |
| Cp,gas | 397.57 | J/mol×K | 773.23 | Joback Calculated Property |
| Cp,gas | 406.76 | J/mol×K | 812.94 | Joback Calculated Property |
| η | [0.0000413; 0.0014414] | Pa×s | [385.46; 574.68] |
|
| η | 0.0014414 | Pa×s | 385.46 | Joback Calculated Property |
| η | 0.0006374 | Pa×s | 417.00 | Joback Calculated Property |
| η | 0.0003161 | Pa×s | 448.53 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 480.07 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 511.61 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 543.14 | Joback Calculated Property |
| η | 0.0000413 | Pa×s | 574.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-tert-Butyl-2-chlorophenol.
Sources
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