- InChI
- InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H
- InChI Key
- JFLKFZNIIQFQBS-UHFFFAOYSA-N
- Formula
- C16H14
- SMILES
- C(C=Cc1ccccc1)=Cc1ccccc1
- Molecular Weight1
- 206.28
- CAS
- 886-65-7
- Other Names
-
- Benzene, 1,1'-(1,3-butadiene-1,4-diyl)bis-
- 1,3-Butadiene, 1,4-diphenyl-
- Bistyryl
- Distyryl
- 1,4-Diphenylbutadiene
- 1,4-Diphenylerythrene
- (4-Phenyl-1,3-butadienyl)benzene
- NSC 122702
- 1,4-diphenylbuta-1,3-diene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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 |
|---|---|---|---|
| EA | 0.67 ± 0.02 | eV | NIST |
| ΔfG° | 469.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 333.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.68 | kJ/mol | Joback Calculated Property |
| IE | [7.54; 8.05] | eV |
|
| IE | 8.05 | eV | NIST |
| IE | 7.56 | eV | NIST |
| IE | 7.75 | eV | NIST |
| IE | 7.54 ± 0.03 | eV | NIST |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 4.413 | Crippen Calculated Property | |
| McVol | 180.180 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Inp | [1738.00; 1738.00] |
|
|
| Inp | 1738.00 | NIST | |
| Inp | 1738.00 | NIST | |
| Tboil | 627.16 | K | Joback Calculated Property |
| Tc | 878.11 | K | Joback Calculated Property |
| Tfus | [425.00; 425.90] | K |
|
| Tfus | 425.90 ± 3.00 | K | NIST |
| Tfus | 425.00 ± 5.00 | K | NIST |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.67; 516.71] | J/mol×K | [627.16; 878.11] |
|
| Cp,gas | 430.67 | J/mol×K | 627.16 | Joback Calculated Property |
| Cp,gas | 448.24 | J/mol×K | 668.99 | Joback Calculated Property |
| Cp,gas | 464.34 | J/mol×K | 710.81 | Joback Calculated Property |
| Cp,gas | 479.08 | J/mol×K | 752.64 | Joback Calculated Property |
| Cp,gas | 492.63 | J/mol×K | 794.46 | Joback Calculated Property |
| Cp,gas | 505.13 | J/mol×K | 836.29 | Joback Calculated Property |
| Cp,gas | 516.71 | J/mol×K | 878.11 | Joback Calculated Property |
| η | [0.0001107; 0.0021009] | Pa×s | [312.76; 627.16] |
|
| η | 0.0021009 | Pa×s | 312.76 | Joback Calculated Property |
| η | 0.0009047 | Pa×s | 365.16 | Joback Calculated Property |
| η | 0.0004813 | Pa×s | 417.56 | Joback Calculated Property |
| η | 0.0002948 | Pa×s | 469.96 | Joback Calculated Property |
| η | 0.0001992 | Pa×s | 522.36 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 574.76 | Joback Calculated Property |
| η | 0.0001107 | Pa×s | 627.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Diphenyl-1,3-butadiene.
Sources
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