![8b,16b-Dihydrodibenzo[g,p]chrysene mixture of cis and trans](/cid/77-307-6/8b-16b-Dihydrodibenzo-g-p-chrysene-mixture-of-cis-and-trans.png "8b,16b-Dihydrodibenzo[g,p]chrysene mixture of cis and trans")
- InChI
- InChI=1S/C26H18/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26-24-16-8-4-12-20(24)19-11-3-7-15-23(19)25(21)26/h1-16,25-26H
- InChI Key
- BUBKFBKPMDZRIJ-UHFFFAOYSA-N
- Formula
- C26H18
- SMILES
-
c1ccc2c(c1)-c1ccccc1C1c3ccccc3
-c3ccccc3C21 - Molecular Weight1
- 330.42
- CAS
- 33741-19-4
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -13178.00 | kJ/mol | NIST |
| ΔfH°gas | 395.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.37 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 182.00 | kJ/mol | NIST |
| ΔvapH° | 138.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.611 | Crippen Calculated Property | |
| McVol | 260.440 | ml/mol | McGowan Calculated Property |
| Tfus | 534.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.90; 826.79] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.79170e+02 | |||
| Coefficient B | 2.26040e+00 | |||
| Coefficient C | -1.87324e-03 | |||
| Coefficient D | 6.18800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 310.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 413.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 500.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 572.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 633.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 684.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 727.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 763.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 796.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 826.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042000; 0.0028174] | Pa×s | [588.50; 832.33] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -6.83561e+00 | |||
| Coefficient B | 8.02080e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 588.50 | |||
| Temperature range, max. | 832.33 | |||
| η | 0.0042000 | Pa×s | 588.50 | Calculated Property |
| η | 0.0039554 | Pa×s | 615.59 | Calculated Property |
| η | 0.0037440 | Pa×s | 642.68 | Calculated Property |
| η | 0.0035597 | Pa×s | 669.78 | Calculated Property |
| η | 0.0033978 | Pa×s | 696.87 | Calculated Property |
| η | 0.0032546 | Pa×s | 723.96 | Calculated Property |
| η | 0.0031271 | Pa×s | 751.05 | Calculated Property |
| η | 0.0030129 | Pa×s | 778.14 | Calculated Property |
| η | 0.0029102 | Pa×s | 805.23 | Calculated Property |
| η | 0.0028174 | Pa×s | 832.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 8b,16b-Dihydrodibenzo[g,p]chrysene mixture of cis and trans.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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