- InChI
- InChI=1S/C19H14Cl2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h1-13,19H
- InChI Key
- IKAGDIWPCLTVRI-UHFFFAOYSA-N
- Formula
- C19H14Cl2
- SMILES
-
Clc1ccc(C(c2ccccc2)c2ccc(Cl)cc
2)cc1 - Molecular Weight1
- 313.22
- 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 | 0.5200 | Relay (1.0) Calculated Property | |
| ΔfG° | 400.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 209.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.174 | Crippen Calculated Property | |
| McVol | 231.770 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | [391.40; 391.40] |
|
|
| Inp | 391.40 | NIST | |
| Inp | 391.40 | NIST | |
| Tboil | 675.65 | K | Relay (1.0) Calculated Property |
| Tc | 946.77 | K | Relay (1.0) Calculated Property |
| Tfus | 383.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.813 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.37; 654.98] | 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 | -6.34000e+01 | |||
| Coefficient B | 1.47260e+00 | |||
| Coefficient C | -1.01332e-03 | |||
| Coefficient D | 2.59100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 268.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 342.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 406.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 461.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 509.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 549.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 583.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 611.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 635.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 654.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009183; 0.0001053] | Pa×s | [453.03; 749.97] |
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 | -1.24621e+01 | |||
| Coefficient B | 2.47768e+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. | 453.03 | |||
| Temperature range, max. | 749.97 | |||
| η | 0.0009183 | Pa×s | 453.03 | Calculated Property |
| η | 0.0006335 | Pa×s | 486.02 | Calculated Property |
| η | 0.0004582 | Pa×s | 519.02 | Calculated Property |
| η | 0.0003444 | Pa×s | 552.01 | Calculated Property |
| η | 0.0002674 | Pa×s | 585.00 | Calculated Property |
| η | 0.0002133 | Pa×s | 618.00 | Calculated Property |
| η | 0.0001741 | Pa×s | 650.99 | Calculated Property |
| η | 0.0001449 | Pa×s | 683.99 | Calculated Property |
| η | 0.0001226 | Pa×s | 716.98 | Calculated Property |
| η | 0.0001053 | Pa×s | 749.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Triphenylmethane, 4,4'-dichloro.
Sources
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