- InChI
- InChI=1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H
- InChI Key
- IFVTZJHWGZSXFD-UHFFFAOYSA-N
- Formula
- C12H8
- SMILES
- c1ccc2c(c1)-c1ccccc1-2
- Molecular Weight1
- 152.19
- CAS
- 259-79-0
- Other Names
-
- 1,1'-Biphenylene
- cyclobutadibenzene
- dibenzocyclobutadiene
- diphenylene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.4303 | Relay (1.0) Calculated Property | |
| PAff | [845.20; 848.20] | kJ/mol |
|
| PAff | 848.20 | kJ/mol | NIST |
| PAff | 845.20 | kJ/mol | NIST |
| BasG | [819.20; 819.20] | kJ/mol |
|
| BasG | 819.20 | kJ/mol | NIST |
| BasG | 819.20 | kJ/mol | NIST |
| ΔcH°solid | [-6219.00; -6198.00] | kJ/mol |
|
| ΔcH°solid | -6198.85 ± 0.92 | kJ/mol | NIST |
| ΔcH°solid | -6219.00 ± 3.00 | kJ/mol | NIST |
| ΔcH°solid | -6198.00 ± 10.00 | kJ/mol | NIST |
| EA | 0.89 ± 0.10 | eV | NIST |
| ΔfG° | 360.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [417.20; 440.00] | kJ/mol |
|
| ΔfH°gas | 417.20 ± 1.90 | kJ/mol | NIST |
| ΔfH°gas | 420.40 ± 1.90 | kJ/mol | NIST |
| ΔfH°gas | 440.00 | kJ/mol | NIST |
| ΔfH°solid | [333.40; 353.00] | kJ/mol |
|
| ΔfH°solid | 333.40 ± 1.80 | kJ/mol | NIST |
| ΔfH°solid | 333.40 ± 1.10 | kJ/mol | NIST |
| ΔfH°solid | 353.00 | kJ/mol | NIST |
| ΔfusH° | 22.60 | kJ/mol | Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons |
| ΔsubH° | [83.80; 129.00] | kJ/mol |
|
| ΔsubH° | 83.80 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 87.30 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | 87.00 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 87.00 | kJ/mol | NIST |
| ΔsubH° | 83.80 ± 0.30 | kJ/mol | NIST |
| ΔsubH° | Outlier 129.00 | kJ/mol | NIST |
| ΔvapH° | 67.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.53; 7.61] | eV |
|
| IE | 7.58 ± 0.03 | eV | NIST |
| IE | 7.56 ± 0.05 | eV | NIST |
| IE | 7.61 ± 0.04 | eV | NIST |
| IE | 7.53 ± 0.05 | eV | NIST |
| IE | 7.56 ± 0.05 | eV | NIST |
| IE | 7.61 | eV | NIST |
| IE | 7.60 ± 0.02 | eV | NIST |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 121.560 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Inp | [240.00; 249.20] |
|
|
| Inp | 248.90 | NIST | |
| Inp | 249.10 | NIST | |
| Inp | 249.20 | NIST | |
| Inp | 240.00 | NIST | |
| Inp | 244.96 | NIST | |
| Inp | 240.00 | NIST | |
| Inp | 248.90 | NIST | |
| Tboil | 564.82 | K | Relay (1.0) Calculated Property |
| Tc | 816.93 | K | Relay (1.0) Calculated Property |
| Tfus | 384.40 ± 0.30 | K | NIST |
| Vc | 0.486 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.82; 323.67] | J/mol×K | [536.08; 779.84] |
|
| Cp,gas | 261.82 | J/mol×K | 536.08 | Joback Calculated Property |
| Cp,gas | 274.69 | J/mol×K | 576.71 | Joback Calculated Property |
| Cp,gas | 286.34 | J/mol×K | 617.33 | Joback Calculated Property |
| Cp,gas | 296.92 | J/mol×K | 657.96 | Joback Calculated Property |
| Cp,gas | 306.58 | J/mol×K | 698.59 | Joback Calculated Property |
| Cp,gas | 315.45 | J/mol×K | 739.21 | Joback Calculated Property |
| Cp,gas | 323.67 | J/mol×K | 779.84 | Joback Calculated Property |
| η | [0.0007327; 0.0012738] | Pa×s | [335.62; 536.08] |
|
| η | 0.0012738 | Pa×s | 335.62 | Joback Calculated Property |
| η | 0.0011142 | Pa×s | 369.03 | Joback Calculated Property |
| η | 0.0009965 | Pa×s | 402.44 | Joback Calculated Property |
| η | 0.0009066 | Pa×s | 435.85 | Joback Calculated Property |
| η | 0.0008359 | Pa×s | 469.26 | Joback Calculated Property |
| η | 0.0007792 | Pa×s | 502.67 | Joback Calculated Property |
| η | 0.0007327 | Pa×s | 536.08 | Joback Calculated Property |
| ΔsubH | [68.60; 82.70] | kJ/mol | [295.00; 383.00] |
|
| ΔsubH | 68.60 ± 0.80 | kJ/mol | 295.00 | NIST |
| ΔsubH | 82.70 | kJ/mol | 383.00 | NIST |
Similar Compounds
Find more compounds similar to Biphenylene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
- Joback Method
- McGowan Method
- NIST Webbook
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