- InChI
- InChI=1S/C19H15Br/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
- InChI Key
- NZHXEWZGTQSYJM-UHFFFAOYSA-N
- Formula
- C19H15Br
- SMILES
-
BrC(c1ccccc1)(c1ccccc1)c1ccccc
1 - Molecular Weight1
- 323.23
- Other Names
-
- 2-bromo-1,1,1-triphenylethane
- Bromotriphenylmethane
- Methane, bromotriphenyl-
- Triphenylmethyl bromide
- Trityl bromide
- «alpha»-Bromotriphenylmethane
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5150 | Relay (1.0) Calculated Property | |
| ΔfG° | 463.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 352.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.373 | Crippen Calculated Property | |
| McVol | 224.790 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Tboil | 644.47 | K | Relay (1.0) Calculated Property |
| Tc | 924.47 | K | Relay (1.0) Calculated Property |
| Tfus | 426.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.789 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 503.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.30; 654.52] | 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 | -1.32380e+02 | |||
| Coefficient B | 1.73610e+00 | |||
| Coefficient C | -1.34660e-03 | |||
| Coefficient D | 3.97400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 249.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 330.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 400.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 459.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 508.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 549.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 582.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 610.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 634.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 654.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014244; 0.0000916] | Pa×s | [426.15; 746.54] |
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 | -1.29486e+01 | |||
| Coefficient B | 2.72506e+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. | 426.15 | |||
| Temperature range, max. | 746.54 | |||
| η | 0.0014244 | Pa×s | 426.15 | Calculated Property |
| η | 0.0008700 | Pa×s | 461.75 | Calculated Property |
| η | 0.0005702 | Pa×s | 497.35 | Calculated Property |
| η | 0.0003955 | Pa×s | 532.95 | Calculated Property |
| η | 0.0002871 | Pa×s | 568.54 | Calculated Property |
| η | 0.0002165 | Pa×s | 604.14 | Calculated Property |
| η | 0.0001684 | Pa×s | 639.74 | Calculated Property |
| η | 0.0001346 | Pa×s | 675.34 | Calculated Property |
| η | 0.0001099 | Pa×s | 710.94 | Calculated Property |
| η | 0.0000916 | Pa×s | 746.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Triphenylmethylbromide.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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