- InChI
- InChI=1S/C16H12Br2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H/b15-11-,16-12-
- InChI Key
- VYKJGULDTAGCMJ-NFLUSIDLSA-N
- Formula
- C16H12Br2
- SMILES
- BrC(=CC=C(Br)c1ccccc1)c1ccccc1
- Molecular Weight1
- 364.07
- CAS
- 116862-67-0
- Other Names
-
- 1,3-Butadiene, 1,4-dibromo-1,4-diphenyl-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.4872 | Relay (1.0) Calculated Property | |
| ΔfG° | 480.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 317.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.858 | Crippen Calculated Property | |
| McVol | 215.180 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Tboil | 640.53 | K | Relay (1.0) Calculated Property |
| Tc | 890.91 | K | Relay (1.0) Calculated Property |
| Tfus | 417.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.736 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [502.61; 573.42] | J/mol×K | [759.24; 1041.29] | 
|
| Cp,gas | 502.61 | J/mol×K | 759.24 | Joback Calculated Property |
| Cp,gas | 516.51 | J/mol×K | 806.25 | Joback Calculated Property |
| Cp,gas | 529.23 | J/mol×K | 853.26 | Joback Calculated Property |
| Cp,gas | 541.04 | J/mol×K | 900.27 | Joback Calculated Property |
| Cp,gas | 552.18 | J/mol×K | 947.28 | Joback Calculated Property |
| Cp,gas | 562.89 | J/mol×K | 994.29 | Joback Calculated Property |
| Cp,gas | 573.42 | J/mol×K | 1041.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dibromo-1,4-diphenyl-butadiene.
Sources
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