- InChI
- InChI=1S/C19H15Cl/c20-18-13-7-12-17(14-18)19(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,19H
- InChI Key
- SDIGIJITRTZHMD-UHFFFAOYSA-N
- Formula
- C19H15Cl
- SMILES
-
Clc1cccc(C(c2ccccc2)c2ccccc2)c
1 - Molecular Weight1
- 278.77
- 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 | 0.4660 | Relay (1.0) Calculated Property | |
| ΔfG° | 422.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 241.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.520 | Crippen Calculated Property | |
| McVol | 219.530 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Inp | [358.00; 358.00] |
|
|
| Inp | 358.00 | NIST | |
| Inp | 358.00 | NIST | |
| Tboil | 653.63 | K | Relay (1.0) Calculated Property |
| Tc | 930.71 | K | Relay (1.0) Calculated Property |
| Tfus | 359.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.778 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.41; 649.75] | 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 | -9.05900e+01 | |||
| Coefficient B | 1.52530e+00 | |||
| Coefficient C | -1.05996e-03 | |||
| Coefficient D | 2.75000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 252.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 328.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 394.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 451.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 500.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 541.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 576.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 605.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 629.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 649.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013116; 0.0001117] | Pa×s | [410.59; 718.97] |
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 | -1.23786e+01 | |||
| Coefficient B | 2.35762e+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. | 410.59 | |||
| Temperature range, max. | 718.97 | |||
| η | 0.0013116 | Pa×s | 410.59 | Calculated Property |
| η | 0.0008428 | Pa×s | 444.85 | Calculated Property |
| η | 0.0005769 | Pa×s | 479.12 | Calculated Property |
| η | 0.0004154 | Pa×s | 513.38 | Calculated Property |
| η | 0.0003117 | Pa×s | 547.65 | Calculated Property |
| η | 0.0002419 | Pa×s | 581.91 | Calculated Property |
| η | 0.0001931 | Pa×s | 616.17 | Calculated Property |
| η | 0.0001578 | Pa×s | 650.44 | Calculated Property |
| η | 0.0001317 | Pa×s | 684.70 | Calculated Property |
| η | 0.0001117 | Pa×s | 718.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Triphenylmethane, 3-chloro.
Sources
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