- InChI
- InChI=1S/C12H17Cl/c1-8-5-9(2)12(10(3)6-8)11(4)7-13/h5-6,11H,7H2,1-4H3
- InChI Key
- WRWKIILRWBFEFB-UHFFFAOYSA-N
- Formula
- C12H17Cl
- SMILES
- Cc1cc(C)c(C(C)CCl)c(C)c1
- Molecular Weight1
- 196.72
- 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° | 119.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -109.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 3.954 | Crippen Calculated Property | |
| McVol | 168.420 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | [1470.00; 1470.00] |
|
|
| Inp | 1470.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Tboil | 552.57 | K | Joback Calculated Property |
| Tc | 764.55 | K | Joback Calculated Property |
| Tfus | 303.90 | K | Joback Calculated Property |
| Vc | 0.642 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.00; 458.13] | J/mol×K | [552.57; 764.55] |
|
| Cp,gas | 377.00 | J/mol×K | 552.57 | Joback Calculated Property |
| Cp,gas | 392.45 | J/mol×K | 587.90 | Joback Calculated Property |
| Cp,gas | 407.10 | J/mol×K | 623.23 | Joback Calculated Property |
| Cp,gas | 420.97 | J/mol×K | 658.56 | Joback Calculated Property |
| Cp,gas | 434.08 | J/mol×K | 693.89 | Joback Calculated Property |
| Cp,gas | 446.46 | J/mol×K | 729.22 | Joback Calculated Property |
| Cp,gas | 458.13 | J/mol×K | 764.55 | Joback Calculated Property |
| η | [0.0001821; 0.0017529] | Pa×s | [303.90; 552.57] |
|
| η | 0.0017529 | Pa×s | 303.90 | Joback Calculated Property |
| η | 0.0009583 | Pa×s | 345.35 | Joback Calculated Property |
| η | 0.0005963 | Pa×s | 386.79 | Joback Calculated Property |
| η | 0.0004067 | Pa×s | 428.24 | Joback Calculated Property |
| η | 0.0002968 | Pa×s | 469.68 | Joback Calculated Property |
| η | 0.0002279 | Pa×s | 511.12 | Joback Calculated Property |
| η | 0.0001821 | Pa×s | 552.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3,5-trimethyl-2-(2-chloro-1-methylethyl).
Sources
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