- InChI
- InChI=1S/C18H18/c1-17(2,3)18-14-10-6-4-8-12(14)16(18)13-9-5-7-11-15(13)18/h4-11,16H,1-3H3
- InChI Key
- ISMYYTMVFOAZIS-UHFFFAOYSA-N
- Formula
- C18H18
- SMILES
- CC(C)(C)C12c3ccccc3C1c1ccccc12
- Molecular Weight1
- 234.34
- CAS
- 76008-29-2
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.4280 | Relay (1.0) Calculated Property | |
| ΔfG° | 473.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 151.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.478 | Crippen Calculated Property | |
| McVol | 195.240 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Tboil | 592.68 | K | Relay (1.0) Calculated Property |
| Tc | 882.82 | K | Relay (1.0) Calculated Property |
| Tfus | 415.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.737 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.05; 631.00] | J/mol×K | [667.97; 914.78] | 
|
| Cp,gas | 537.05 | J/mol×K | 667.97 | Joback Calculated Property |
| Cp,gas | 554.14 | J/mol×K | 709.11 | Joback Calculated Property |
| Cp,gas | 570.16 | J/mol×K | 750.24 | Joback Calculated Property |
| Cp,gas | 585.48 | J/mol×K | 791.38 | Joback Calculated Property |
| Cp,gas | 600.48 | J/mol×K | 832.51 | Joback Calculated Property |
| Cp,gas | 615.53 | J/mol×K | 873.65 | Joback Calculated Property |
| Cp,gas | 631.00 | J/mol×K | 914.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Tert-butyl-9,10-(dewar anthracene).
Sources
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