- InChI
- InChI=1S/C11H15Cl/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-7H,8H2,1-3H3
- InChI Key
- QZWCABOLGIVZCP-UHFFFAOYSA-N
- Formula
- C11H15Cl
- SMILES
- CC(C)(C)c1cccc(CCl)c1
- Molecular Weight1
- 182.69
- CAS
- 38580-79-9
- Other Names
-
- Benzene,1-(chloromethyl)-3-dimethylethyl)-
- 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).
- IE : Ionization energy (eV).
- 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° | 135.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -69.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.11 | kJ/mol | Joback Calculated Property |
| IE | 8.71 ± 0.03 | eV | NIST |
| log10WS | -3.82 | Crippen Calculated Property | |
| logPoct/wat | 3.723 | Crippen Calculated Property | |
| McVol | 154.330 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Tboil | 516.94 | K | Joback Calculated Property |
| Tc | 739.16 | K | Joback Calculated Property |
| Tfus | 285.01 | K | Joback Calculated Property |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.36; 414.58] | J/mol×K | [516.94; 739.16] | 
|
| Cp,gas | 333.36 | J/mol×K | 516.94 | Joback Calculated Property |
| Cp,gas | 349.41 | J/mol×K | 553.98 | Joback Calculated Property |
| Cp,gas | 364.38 | J/mol×K | 591.01 | Joback Calculated Property |
| Cp,gas | 378.31 | J/mol×K | 628.05 | Joback Calculated Property |
| Cp,gas | 391.28 | J/mol×K | 665.09 | Joback Calculated Property |
| Cp,gas | 403.35 | J/mol×K | 702.12 | Joback Calculated Property |
| Cp,gas | 414.58 | J/mol×K | 739.16 | Joback Calculated Property |
| η | [0.0002087; 0.0032297] | Pa×s | [285.01; 516.94] |
|
| η | 0.0032297 | Pa×s | 285.01 | Joback Calculated Property |
| η | 0.0015576 | Pa×s | 323.67 | Joback Calculated Property |
| η | 0.0008777 | Pa×s | 362.32 | Joback Calculated Property |
| η | 0.0005524 | Pa×s | 400.98 | Joback Calculated Property |
| η | 0.0003772 | Pa×s | 439.63 | Joback Calculated Property |
| η | 0.0002739 | Pa×s | 478.29 | Joback Calculated Property |
| η | 0.0002087 | Pa×s | 516.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloromethyl-3-(1,1-dimethylethyl)benzene.
Sources
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