![Pentacyclo[10.2.2.2<sup>5,8</sup>.0<sup>2,4</sup>.0<sup>9,11</sup>]octadeca-5,7,12,15,17-hexaene-](/cid/78-245-4/Pentacyclo-10-2-2-2-sup-5-8-sup-0-sup-2-4-sup-0-sup-9-11-sup-octadeca-5-7-12-15-17-hexaene.png "Pentacyclo[10.2.2.2<sup>5,8</sup>.0<sup>2,4</sup>.0<sup>9,11</sup>]octadeca-5,7,12,15,17-hexaene-")
- InChI
- InChI=1S/C18H16/c1-2-12-4-3-11(1)15-9-17(15)13-5-7-14(8-6-13)18-10-16(12)18/h1-8,15-18H,9-10H2
- InChI Key
- DOPCIYVVYMITKB-UHFFFAOYSA-N
- Formula
- C18H16
- SMILES
- c1cc2ccc1C1CC1c1ccc(cc1)C1CC21
- Molecular Weight1
- 232.32
- CAS
- 83944-24-5
- Other Names
-
- 7,8:7',8'-bismethano-[2.2]paracyclophane
- Pentacyclo[10.2.2.2
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.4581 | Relay (1.0) Calculated Property | |
| ΔfG° | 517.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 252.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.542 | Crippen Calculated Property | |
| McVol | 184.380 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Tboil | 627.13 | K | Relay (1.0) Calculated Property |
| Tc | 946.59 | K | Relay (1.0) Calculated Property |
| Tfus | 562.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.734 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.58; 621.01] | J/mol×K | [677.30; 925.04] | 
|
| Cp,gas | 527.58 | J/mol×K | 677.30 | Joback Calculated Property |
| Cp,gas | 545.88 | J/mol×K | 718.59 | Joback Calculated Property |
| Cp,gas | 562.77 | J/mol×K | 759.88 | Joback Calculated Property |
| Cp,gas | 578.49 | J/mol×K | 801.17 | Joback Calculated Property |
| Cp,gas | 593.28 | J/mol×K | 842.46 | Joback Calculated Property |
| Cp,gas | 607.37 | J/mol×K | 883.75 | Joback Calculated Property |
| Cp,gas | 621.01 | J/mol×K | 925.04 | Joback Calculated Property |
| η | [0.0045382; 0.0067284] | Pa×s | [430.64; 677.30] |
|
| η | 0.0045382 | Pa×s | 430.64 | Joback Calculated Property |
| η | 0.0049866 | Pa×s | 471.75 | Joback Calculated Property |
| η | 0.0053973 | Pa×s | 512.86 | Joback Calculated Property |
| η | 0.0057735 | Pa×s | 553.97 | Joback Calculated Property |
| η | 0.0061187 | Pa×s | 595.08 | Joback Calculated Property |
| η | 0.0064360 | Pa×s | 636.19 | Joback Calculated Property |
| η | 0.0067284 | Pa×s | 677.30 | Joback Calculated Property |
Similar Compounds
Sources
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