- InChI
- InChI=1S/C20H18/c1-2-3-5-14-8-9-17-11-10-15-6-4-7-16-12-13-18(14)20(17)19(15)16/h4,6-13H,2-3,5H2,1H3
- InChI Key
- UFOTZLIYHMGVAV-UHFFFAOYSA-N
- Formula
- C20H18
- SMILES
- CCCCc1ccc2ccc3cccc4ccc1c2c34
- Molecular Weight1
- 258.36
- Other Names
-
- Pyrene, 1-butyl
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6695 | Relay (... Calculated Property | |
| ΔfG° | 515.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 166.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.58 | kJ/mol | Relay (... Calculated Property |
| IE | 7.41 | eV | Relay (... Calculated Property |
| log10WS | -7.32 | Relay (... Calculated Property | |
| logPoct/wat | 5.927 | Crippen Calculated Property | |
| McVol | 214.820 | ml/mol | McGowan Calculated Property |
| Pc | 2060.49 | kPa | Joback Calculated Property |
| Inp | [414.87; 414.87] |
|
|
| Inp | 414.87 | NIST | |
| Inp | 414.87 | NIST | |
| Inp | 414.87 | NIST | |
| Tboil | 718.02 | K | Relay (... Calculated Property |
| Tc | 977.83 | K | Relay (... Calculated Property |
| Tfus | 323.90 | K | Relay (... Calculated Property |
| Vc | 0.835 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.79; 673.68] | J/mol×K | [747.86; 983.69] |
|
| Cp,gas | 591.79 | J/mol×K | 747.86 | Joback Calculated Property |
| Cp,gas | 607.06 | J/mol×K | 787.17 | Joback Calculated Property |
| Cp,gas | 621.44 | J/mol×K | 826.47 | Joback Calculated Property |
| Cp,gas | 635.13 | J/mol×K | 865.78 | Joback Calculated Property |
| Cp,gas | 648.28 | J/mol×K | 905.08 | Joback Calculated Property |
| Cp,gas | 661.07 | J/mol×K | 944.39 | Joback Calculated Property |
| Cp,gas | 673.68 | J/mol×K | 983.69 | Joback Calculated Property |
| η | [0.0011574; 0.0021539] | Pa×s | [483.52; 747.86] |
|
| η | 0.0021539 | Pa×s | 483.52 | Joback Calculated Property |
| η | 0.0018599 | Pa×s | 527.58 | Joback Calculated Property |
| η | 0.0016428 | Pa×s | 571.63 | Joback Calculated Property |
| η | 0.0014771 | Pa×s | 615.69 | Joback Calculated Property |
| η | 0.0013471 | Pa×s | 659.75 | Joback Calculated Property |
| η | 0.0012427 | Pa×s | 703.80 | Joback Calculated Property |
| η | 0.0011574 | Pa×s | 747.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-n-butylpyrene.
Sources
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