- InChI
- InChI=1S/C20H14/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h2-3,5-12H,1,4H2
- InChI Key
- PDZWPBIJXRAPEW-UHFFFAOYSA-N
- Formula
- C20H14
- SMILES
-
C1=Cc2c(cc3ccc4cccc5ccc2c3c45)
CC1 - Molecular Weight1
- 254.33
- CAS
- 17573-23-8
- Other Names
-
- 7,8-Dihydrobenzo(a)pyrene
- Dihydrobenzo[a]pyrene
- 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° | 591.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 407.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.01 | kJ/mol | Joback Calculated Property |
| log10WS | -7.82 | Crippen Calculated Property | |
| logPoct/wat | 5.543 | Crippen Calculated Property | |
| McVol | 199.660 | ml/mol | McGowan Calculated Property |
| Pc | 2515.07 | kPa | Joback Calculated Property |
| Tboil | 767.68 | K | Joback Calculated Property |
| Tc | 1029.07 | K | Joback Calculated Property |
| Tfus | 515.46 | K | Joback Calculated Property |
| Vc | 0.779 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.24; 628.35] | J/mol×K | [767.68; 1029.07] | 
|
| Cp,gas | 547.24 | J/mol×K | 767.68 | Joback Calculated Property |
| Cp,gas | 561.86 | J/mol×K | 811.24 | Joback Calculated Property |
| Cp,gas | 575.67 | J/mol×K | 854.81 | Joback Calculated Property |
| Cp,gas | 588.96 | J/mol×K | 898.37 | Joback Calculated Property |
| Cp,gas | 601.98 | J/mol×K | 941.94 | Joback Calculated Property |
| Cp,gas | 615.02 | J/mol×K | 985.50 | Joback Calculated Property |
| Cp,gas | 628.35 | J/mol×K | 1029.07 | Joback Calculated Property |
| η | [0.0021560; 0.0032582] | Pa×s | [515.46; 767.68] |
|
| η | 0.0032582 | Pa×s | 515.46 | Joback Calculated Property |
| η | 0.0029636 | Pa×s | 557.50 | Joback Calculated Property |
| η | 0.0027317 | Pa×s | 599.53 | Joback Calculated Property |
| η | 0.0025450 | Pa×s | 641.57 | Joback Calculated Property |
| η | 0.0023918 | Pa×s | 683.61 | Joback Calculated Property |
| η | 0.0022640 | Pa×s | 725.64 | Joback Calculated Property |
| η | 0.0021560 | Pa×s | 767.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzo(a)pyrene, 7,8-dihydro-.
Sources
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