- InChI
- InChI=1S/C21H16/c1-21-17-11-5-2-8-14(17)20(15-9-3-6-12-18(15)21)16-10-4-7-13-19(16)21/h2-13,20H,1H3
- InChI Key
- OFWMYJWQNDGHLY-UHFFFAOYSA-N
- Formula
- C21H16
- SMILES
-
CC12c3ccccc3C(c3ccccc31)c1cccc
c12 - Molecular Weight1
- 268.35
- CAS
- 793-39-5
- 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).
- 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° | 598.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 383.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.14 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 4.848 | Crippen Calculated Property | |
| McVol | 213.750 | ml/mol | McGowan Calculated Property |
| Pc | 2309.17 | kPa | Joback Calculated Property |
| Tboil | 771.50 | K | Joback Calculated Property |
| Tc | 1035.45 | K | Joback Calculated Property |
| Tfus | 517.11 | K | Joback Calculated Property |
| Vc | 0.832 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.40; 714.10] | J/mol×K | [771.50; 1035.45] | 
|
| Cp,gas | 606.40 | J/mol×K | 771.50 | Joback Calculated Property |
| Cp,gas | 623.60 | J/mol×K | 815.49 | Joback Calculated Property |
| Cp,gas | 640.52 | J/mol×K | 859.48 | Joback Calculated Property |
| Cp,gas | 657.59 | J/mol×K | 903.47 | Joback Calculated Property |
| Cp,gas | 675.26 | J/mol×K | 947.46 | Joback Calculated Property |
| Cp,gas | 693.94 | J/mol×K | 991.46 | Joback Calculated Property |
| Cp,gas | 714.10 | J/mol×K | 1035.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Methyl triptycene.
Sources
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