- InChI
- InChI=1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3
- InChI Key
- KCIJNJVCFPSUBQ-UHFFFAOYSA-N
- Formula
- C18H12O
- SMILES
- CC(=O)c1ccc2ccc3cccc4ccc1c2c34
- Molecular Weight1
- 244.29
- CAS
- 3264-21-9
- Other Names
-
- Ethanone, 1-(1-pyrenyl)-
- 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° | 369.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 202.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.95 | kJ/mol | Joback Calculated Property |
| log10WS | -6.96 | Crippen Calculated Property | |
| logPoct/wat | 4.787 | Crippen Calculated Property | |
| McVol | 188.210 | ml/mol | McGowan Calculated Property |
| Pc | 2635.25 | kPa | Joback Calculated Property |
| Tboil | 755.97 | K | Joback Calculated Property |
| Tc | 1006.60 | K | Joback Calculated Property |
| Tfus | 362.65 ± 2.00 | K | NIST |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.07; 566.44] | J/mol×K | [755.97; 1006.60] | 
|
| Cp,gas | 498.07 | J/mol×K | 755.97 | Joback Calculated Property |
| Cp,gas | 510.74 | J/mol×K | 797.74 | Joback Calculated Property |
| Cp,gas | 522.65 | J/mol×K | 839.51 | Joback Calculated Property |
| Cp,gas | 533.97 | J/mol×K | 881.28 | Joback Calculated Property |
| Cp,gas | 544.92 | J/mol×K | 923.06 | Joback Calculated Property |
| Cp,gas | 555.68 | J/mol×K | 964.83 | Joback Calculated Property |
| Cp,gas | 566.44 | J/mol×K | 1006.60 | Joback Calculated Property |
| η | [0.0014941; 0.0026574] | Pa×s | [510.91; 755.97] |
|
| η | 0.0026574 | Pa×s | 510.91 | Joback Calculated Property |
| η | 0.0023300 | Pa×s | 551.75 | Joback Calculated Property |
| η | 0.0020803 | Pa×s | 592.60 | Joback Calculated Property |
| η | 0.0018847 | Pa×s | 633.44 | Joback Calculated Property |
| η | 0.0017280 | Pa×s | 674.28 | Joback Calculated Property |
| η | 0.0016002 | Pa×s | 715.13 | Joback Calculated Property |
| η | 0.0014941 | Pa×s | 755.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Acetylpyrene.
Sources
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