- InChI
- InChI=1S/C14H21Cl/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9H,1-6H3
- InChI Key
- ADQRIEIXADCLKG-UHFFFAOYSA-N
- Formula
- C14H21Cl
- SMILES
- CC(C)(C)c1ccc(Cl)c(C(C)(C)C)c1
- Molecular Weight1
- 224.77
- CAS
- 80438-65-9
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -161.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -206.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.935 | Crippen Calculated Property | |
| McVol | 196.600 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Tboil | 533.03 | K | Relay (1.0) Calculated Property |
| Tc | 749.42 | K | Relay (1.0) Calculated Property |
| Tfus | 319.90 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.72; 574.60] | J/mol×K | [587.33; 812.50] | 
|
| Cp,gas | 480.72 | J/mol×K | 587.33 | Joback Calculated Property |
| Cp,gas | 499.35 | J/mol×K | 624.86 | Joback Calculated Property |
| Cp,gas | 516.67 | J/mol×K | 662.39 | Joback Calculated Property |
| Cp,gas | 532.77 | J/mol×K | 699.92 | Joback Calculated Property |
| Cp,gas | 547.73 | J/mol×K | 737.45 | Joback Calculated Property |
| Cp,gas | 561.64 | J/mol×K | 774.98 | Joback Calculated Property |
| Cp,gas | 574.60 | J/mol×K | 812.50 | Joback Calculated Property |
| η | [0.0001357; 0.0023734] | Pa×s | [333.76; 587.33] |
|
| η | 0.0023734 | Pa×s | 333.76 | Joback Calculated Property |
| η | 0.0011269 | Pa×s | 376.02 | Joback Calculated Property |
| η | 0.0006219 | Pa×s | 418.28 | Joback Calculated Property |
| η | 0.0003828 | Pa×s | 460.55 | Joback Calculated Property |
| η | 0.0002557 | Pa×s | 502.81 | Joback Calculated Property |
| η | 0.0001818 | Pa×s | 545.07 | Joback Calculated Property |
| η | 0.0001357 | Pa×s | 587.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Di-t-butyl chlorobenzene.
Sources
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