- InChI
- InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3
- InChI Key
- KFZXVMNBUMVKLN-UHFFFAOYSA-N
- Formula
- C10H13ClO
- SMILES
- Cc1cc(O)c(C(C)C)cc1Cl
- Molecular Weight1
- 184.66
- CAS
- 89-68-9
- Other Names
-
- Thymol, 6-chloro-
- Chlorothymol
- Chlorthymol
- 4-Chloro-2-isopropyl-5-methylphenol
- 4-Chlorothymol
- 4-Chloro-6-isopropyl-3-methylphenol
- 6-chlorothymol
- 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° | -42.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 3.477 | Crippen Calculated Property | |
| McVol | 146.110 | ml/mol | McGowan Calculated Property |
| Pc | 3239.34 | kPa | Joback Calculated Property |
| Inp | 1486.00 | NIST | |
| Tboil | 582.45 | K | Joback Calculated Property |
| Tc | 812.18 | K | Joback Calculated Property |
| Tfus | 380.56 | K | Joback Calculated Property |
| Vc | 0.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.46; 401.28] | J/mol×K | [582.45; 812.18] | 
|
| Cp,gas | 336.46 | J/mol×K | 582.45 | Joback Calculated Property |
| Cp,gas | 349.05 | J/mol×K | 620.74 | Joback Calculated Property |
| Cp,gas | 360.82 | J/mol×K | 659.03 | Joback Calculated Property |
| Cp,gas | 371.86 | J/mol×K | 697.32 | Joback Calculated Property |
| Cp,gas | 382.23 | J/mol×K | 735.61 | Joback Calculated Property |
| Cp,gas | 392.01 | J/mol×K | 773.90 | Joback Calculated Property |
| Cp,gas | 401.28 | J/mol×K | 812.18 | Joback Calculated Property |
| η | [0.0000397; 0.0013925] | Pa×s | [380.56; 582.45] |
|
| η | 0.0013925 | Pa×s | 380.56 | Joback Calculated Property |
| η | 0.0006051 | Pa×s | 414.21 | Joback Calculated Property |
| η | 0.0002980 | Pa×s | 447.86 | Joback Calculated Property |
| η | 0.0001620 | Pa×s | 481.50 | Joback Calculated Property |
| η | 0.0000954 | Pa×s | 515.15 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 548.80 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 582.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-chloro-5-methyl-2-(1-methylethyl)-.
Sources
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