- InChI
- InChI=1S/C26H24/c1-2-3-4-5-9-18-16-17-24-22-14-7-11-19-10-6-13-21(25(19)22)23-15-8-12-20(18)26(23)24/h6-8,10-17H,2-5,9H2,1H3
- InChI Key
- TZZMLMCAAVPEBH-UHFFFAOYSA-N
- Formula
- C26H24
- SMILES
-
CCCCCCc1ccc2c3cccc4cccc(c5cccc
1c52)c43 - Molecular Weight1
- 336.47
- CAS
- 7350-91-6
- Other Names
-
- 3-n-Hexylperylene
- 3-Hexylperylene
- 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).
- 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° | 662.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 329.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.32 | kJ/mol | Joback Calculated Property |
| log10WS | -10.58 | Crippen Calculated Property | |
| logPoct/wat | 7.860 | Crippen Calculated Property | |
| McVol | 279.900 | ml/mol | McGowan Calculated Property |
| Pc | 1539.08 | kPa | Joback Calculated Property |
| Tboil | 909.10 | K | Joback Calculated Property |
| Tc | 1146.72 | K | Joback Calculated Property |
| Tfus | 414.65 ± 0.50 | K | NIST |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [856.26; 957.92] | J/mol×K | [909.10; 1146.72] | 
|
| Cp,gas | 856.26 | J/mol×K | 909.10 | Joback Calculated Property |
| Cp,gas | 873.13 | J/mol×K | 948.70 | Joback Calculated Property |
| Cp,gas | 889.73 | J/mol×K | 988.31 | Joback Calculated Property |
| Cp,gas | 906.29 | J/mol×K | 1027.91 | Joback Calculated Property |
| Cp,gas | 923.02 | J/mol×K | 1067.51 | Joback Calculated Property |
| Cp,gas | 940.16 | J/mol×K | 1107.12 | Joback Calculated Property |
| Cp,gas | 957.92 | J/mol×K | 1146.72 | Joback Calculated Property |
| η | [0.0015978; 0.0029547] | Pa×s | [596.36; 909.10] |
|
| η | 0.0029547 | Pa×s | 596.36 | Joback Calculated Property |
| η | 0.0025594 | Pa×s | 648.48 | Joback Calculated Property |
| η | 0.0022648 | Pa×s | 700.61 | Joback Calculated Property |
| η | 0.0020384 | Pa×s | 752.73 | Joback Calculated Property |
| η | 0.0018598 | Pa×s | 804.85 | Joback Calculated Property |
| η | 0.0017159 | Pa×s | 856.98 | Joback Calculated Property |
| η | 0.0015978 | Pa×s | 909.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Perylene, 3-hexyl-.
Sources
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