- InChI
- InChI=1S/C20H18/c1(3-7-13-19-15-9-5-10-16-19)2-4-8-14-20-17-11-6-12-18-20/h1-18H/b3-1+,4-2+,13-7+,14-8+
- InChI Key
- ZENGMMQJMCPHTK-FPPPDJHPSA-N
- Formula
- C20H18
- SMILES
- C(C=CC=Cc1ccccc1)=CC=Cc1ccccc1
- Molecular Weight1
- 258.36
- CAS
- 22828-29-1
- Other Names
-
- 1,3,5,7-Octatetraene, 1,8-diphenyl-, (all-E)-
- All-trans-Diphenyloctatetraene
- Benzene,1,1'-(1,3,5,7-octatetraene-1,8-diyl)bis-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 663.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 485.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.50 | kJ/mol | Joback Calculated Property |
| IE | [7.19; 7.50] | eV |
|
| IE | 7.19 | eV | NIST |
| IE | 7.50 | eV | NIST |
| log10WS | -6.15 | Crippen Calculated Property | |
| logPoct/wat | 5.526 | Crippen Calculated Property | |
| McVol | 227.940 | ml/mol | McGowan Calculated Property |
| Pc | 1944.08 | kPa | Joback Calculated Property |
| Tboil | 727.00 | K | Joback Calculated Property |
| Tc | 976.35 | K | Joback Calculated Property |
| Tfus | 347.68 | K | Joback Calculated Property |
| Vc | 0.860 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.66; 684.53] | J/mol×K | [727.00; 976.35] |
|
| Cp,gas | 594.66 | J/mol×K | 727.00 | Joback Calculated Property |
| Cp,gas | 612.29 | J/mol×K | 768.56 | Joback Calculated Property |
| Cp,gas | 628.58 | J/mol×K | 810.12 | Joback Calculated Property |
| Cp,gas | 643.75 | J/mol×K | 851.68 | Joback Calculated Property |
| Cp,gas | 658.00 | J/mol×K | 893.24 | Joback Calculated Property |
| Cp,gas | 671.53 | J/mol×K | 934.80 | Joback Calculated Property |
| Cp,gas | 684.53 | J/mol×K | 976.35 | Joback Calculated Property |
| η | [0.0000554; 0.0014282] | Pa×s | [347.68; 727.00] |
|
| η | 0.0014282 | Pa×s | 347.68 | Joback Calculated Property |
| η | 0.0005478 | Pa×s | 410.90 | Joback Calculated Property |
| η | 0.0002713 | Pa×s | 474.12 | Joback Calculated Property |
| η | 0.0001585 | Pa×s | 537.34 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 600.56 | Joback Calculated Property |
| η | 0.0000736 | Pa×s | 663.78 | Joback Calculated Property |
| η | 0.0000554 | Pa×s | 727.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-(1,3,5,7-octatetraene-1,8-diyl)bis-, (all-E)-.
Sources
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