- InChI
- InChI=1S/C12H15Cl3/c1-7-10(4-13)8(2)12(6-15)9(3)11(7)5-14/h4-6H2,1-3H3
- InChI Key
- PHQFMPNZCIHSPC-UHFFFAOYSA-N
- Formula
- C12H15Cl3
- SMILES
- Cc1c(CCl)c(C)c(CCl)c(C)c1CCl
- Molecular Weight1
- 265.61
- CAS
- 3849-01-2
- Other Names
-
- 1,3,5-Trimethyl-2,4,6-tris(chloromethyl)benzene
- 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° | 78.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.05 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 4.828 | Crippen Calculated Property | |
| McVol | 192.900 | ml/mol | McGowan Calculated Property |
| Pc | 2019.95 | kPa | Joback Calculated Property |
| Inp | [2073.00; 2073.00] |
|
|
| Inp | 2073.00 | NIST | |
| Inp | 2073.00 | NIST | |
| Tboil | 637.83 | K | Joback Calculated Property |
| Tc | 855.06 | K | Joback Calculated Property |
| Tfus | 403.78 | K | Joback Calculated Property |
| Vc | 0.747 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.11; 496.81] | J/mol×K | [637.83; 855.06] |
|
| Cp,gas | 429.11 | J/mol×K | 637.83 | Joback Calculated Property |
| Cp,gas | 442.08 | J/mol×K | 674.04 | Joback Calculated Property |
| Cp,gas | 454.35 | J/mol×K | 710.24 | Joback Calculated Property |
| Cp,gas | 465.94 | J/mol×K | 746.45 | Joback Calculated Property |
| Cp,gas | 476.87 | J/mol×K | 782.65 | Joback Calculated Property |
| Cp,gas | 487.15 | J/mol×K | 818.86 | Joback Calculated Property |
| Cp,gas | 496.81 | J/mol×K | 855.06 | Joback Calculated Property |
| η | [0.0001788; 0.0008623] | Pa×s | [403.78; 637.83] |
|
| η | 0.0008623 | Pa×s | 403.78 | Joback Calculated Property |
| η | 0.0005910 | Pa×s | 442.79 | Joback Calculated Property |
| η | 0.0004306 | Pa×s | 481.80 | Joback Calculated Property |
| η | 0.0003290 | Pa×s | 520.81 | Joback Calculated Property |
| η | 0.0002610 | Pa×s | 559.81 | Joback Calculated Property |
| η | 0.0002134 | Pa×s | 598.82 | Joback Calculated Property |
| η | 0.0001788 | Pa×s | 637.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3,5-tris(chloromethyl)-2,4,6-trimethyl-.
Sources
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