- 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
- 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° | 75.54 | 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 | 867.16 | K | Relay (1.0) Calculated Property |
| Tfus | 338.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.789 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.93; 628.47] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.83500e+01 | |||
| Coefficient B | 1.39914e+00 | |||
| Coefficient C | -1.01112e-03 | |||
| Coefficient D | 2.78800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 273.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 342.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 401.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 452.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 495.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 531.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 562.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 588.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 609.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 628.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011661; 0.0001096] | Pa×s | [425.14; 697.62] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.28077e+01 | |||
| Coefficient B | 2.57364e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 425.14 | |||
| Temperature range, max. | 697.62 | |||
| η | 0.0011661 | Pa×s | 425.14 | Calculated Property |
| η | 0.0007798 | Pa×s | 455.42 | Calculated Property |
| η | 0.0005482 | Pa×s | 485.69 | Calculated Property |
| η | 0.0004017 | Pa×s | 515.97 | Calculated Property |
| η | 0.0003047 | Pa×s | 546.24 | Calculated Property |
| η | 0.0002379 | Pa×s | 576.52 | Calculated Property |
| η | 0.0001904 | Pa×s | 606.80 | Calculated Property |
| η | 0.0001556 | Pa×s | 637.07 | Calculated Property |
| η | 0.0001296 | Pa×s | 667.35 | Calculated Property |
| η | 0.0001096 | Pa×s | 697.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-methyl-.
Sources
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