- InChI
- InChI=1S/C16H9Cl/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
- InChI Key
- WNYHOOQHJMHHQW-UHFFFAOYSA-N
- Formula
- C16H9Cl
- SMILES
- Clc1ccc2ccc3cccc4ccc1c2c34
- Molecular Weight1
- 236.70
- CAS
- 34244-14-9
- Other Names
-
- Pyrene, 1-chloro-
- 3-Chloropyrene
- 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° | 469.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 340.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.14 | kJ/mol | Joback Calculated Property |
| log10WS | -6.99 | Crippen Calculated Property | |
| logPoct/wat | 5.237 | Crippen Calculated Property | |
| McVol | 170.700 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Tboil | 693.77 | K | Joback Calculated Property |
| Tc | 953.06 | K | Joback Calculated Property |
| Tfus | 392.15 ± 2.00 | K | NIST |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.64; 470.39] | J/mol×K | [693.77; 953.06] | 
|
| Cp,gas | 408.64 | J/mol×K | 693.77 | Joback Calculated Property |
| Cp,gas | 420.51 | J/mol×K | 736.98 | Joback Calculated Property |
| Cp,gas | 431.47 | J/mol×K | 780.20 | Joback Calculated Property |
| Cp,gas | 441.72 | J/mol×K | 823.41 | Joback Calculated Property |
| Cp,gas | 451.48 | J/mol×K | 866.63 | Joback Calculated Property |
| Cp,gas | 460.97 | J/mol×K | 909.84 | Joback Calculated Property |
| Cp,gas | 470.39 | J/mol×K | 953.06 | Joback Calculated Property |
| η | [0.0014237; 0.0022260] | Pa×s | [468.36; 693.77] |
|
| η | 0.0022260 | Pa×s | 468.36 | Joback Calculated Property |
| η | 0.0020098 | Pa×s | 505.93 | Joback Calculated Property |
| η | 0.0018405 | Pa×s | 543.50 | Joback Calculated Property |
| η | 0.0017047 | Pa×s | 581.07 | Joback Calculated Property |
| η | 0.0015937 | Pa×s | 618.63 | Joback Calculated Property |
| η | 0.0015014 | Pa×s | 656.20 | Joback Calculated Property |
| η | 0.0014237 | Pa×s | 693.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Chloropyrene.
Sources
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