- InChI
- InChI=1S/C16H15Cl3/c1-11-3-7-13(8-4-11)15(16(17,18)19)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
- InChI Key
- OEMKCHJUXPTUHW-UHFFFAOYSA-N
- Formula
- C16H15Cl3
- SMILES
-
Cc1ccc(C(c2ccc(C)cc2)C(Cl)(Cl)
Cl)cc1 - Molecular Weight1
- 313.65
- CAS
- 4413-31-4
- Other Names
-
- 2,2-bis-(4-Methylphenyl)-1,1,1-trichloroethane
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4784 | Relay (1.0) Calculated Property | |
| ΔfG° | 254.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.806 | Crippen Calculated Property | |
| McVol | 225.500 | ml/mol | McGowan Calculated Property |
| Pc | 2054.89 | kPa | Joback Calculated Property |
| Inp | [2124.00; 2124.00] |
|
|
| Inp | 2124.00 | NIST | |
| Inp | 2124.00 | NIST | |
| Tboil | 625.00 | K | Relay (1.0) Calculated Property |
| Tc | 866.35 | K | Relay (1.0) Calculated Property |
| Tfus | 344.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.790 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.37; 627.69] | J/mol×K | [737.42; 996.33] |
|
| Cp,gas | 555.37 | J/mol×K | 737.42 | Joback Calculated Property |
| Cp,gas | 570.31 | J/mol×K | 780.57 | Joback Calculated Property |
| Cp,gas | 583.91 | J/mol×K | 823.72 | Joback Calculated Property |
| Cp,gas | 596.32 | J/mol×K | 866.88 | Joback Calculated Property |
| Cp,gas | 607.66 | J/mol×K | 910.03 | Joback Calculated Property |
| Cp,gas | 618.07 | J/mol×K | 953.18 | Joback Calculated Property |
| Cp,gas | 627.69 | J/mol×K | 996.33 | Joback Calculated Property |
| η | [0.0000898; 0.0011661] | Pa×s | [425.14; 737.42] |
|
| η | 0.0011661 | Pa×s | 425.14 | Joback Calculated Property |
| η | 0.0006025 | Pa×s | 477.19 | Joback Calculated Property |
| η | 0.0003545 | Pa×s | 529.23 | Joback Calculated Property |
| η | 0.0002294 | Pa×s | 581.28 | Joback Calculated Property |
| η | 0.0001594 | Pa×s | 633.33 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 685.37 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 737.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-methyl-.
Sources
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