- InChI
- InChI=1S/C14H12/c1-2-6-10-13(9-5-1)14-11-7-3-4-8-12-14/h1-12H
- InChI Key
- CJRANKZVJIECNW-UHFFFAOYSA-N
- Formula
- C14H12
- SMILES
- C1=CC=CC(=C2C=CC=CC=C2)C=C1
- Molecular Weight1
- 180.25
- CAS
- 531-45-3
- 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° | 297.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 186.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.95 | kJ/mol | Joback Calculated Property |
| IE | 7.00 ± 0.10 | eV | NIST |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.647 | Crippen Calculated Property | |
| McVol | 156.300 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 580.78 | K | Joback Calculated Property |
| Tc | 841.19 | K | Joback Calculated Property |
| Tfus | 395.00 ± 2.00 | K | NIST |
| Vc | 0.574 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.44; 444.08] | J/mol×K | [580.78; 841.19] | 
|
| Cp,gas | 354.44 | J/mol×K | 580.78 | Joback Calculated Property |
| Cp,gas | 373.01 | J/mol×K | 624.18 | Joback Calculated Property |
| Cp,gas | 390.04 | J/mol×K | 667.58 | Joback Calculated Property |
| Cp,gas | 405.58 | J/mol×K | 710.99 | Joback Calculated Property |
| Cp,gas | 419.72 | J/mol×K | 754.39 | Joback Calculated Property |
| Cp,gas | 432.53 | J/mol×K | 797.79 | Joback Calculated Property |
| Cp,gas | 444.08 | J/mol×K | 841.19 | Joback Calculated Property |
| η | [0.0001096; 0.0032891] | Pa×s | [294.10; 580.78] |
|
| η | 0.0032891 | Pa×s | 294.10 | Joback Calculated Property |
| η | 0.0012556 | Pa×s | 341.88 | Joback Calculated Property |
| η | 0.0006070 | Pa×s | 389.66 | Joback Calculated Property |
| η | 0.0003439 | Pa×s | 437.44 | Joback Calculated Property |
| η | 0.0002180 | Pa×s | 485.22 | Joback Calculated Property |
| η | 0.0001499 | Pa×s | 533.00 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 580.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Cycloheptatriene-7-(2,4,6-cycloheptatrien-1-ylidene)-.
Sources
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