- InChI
- InChI=1S/C20H16/c1-13-9-17-11-16-8-7-15-5-3-4-6-19(15)20(16)12-18(17)10-14(13)2/h3-12H,1-2H3
- InChI Key
- GKVUDAZMZLMNJQ-UHFFFAOYSA-N
- Formula
- C20H16
- SMILES
- Cc1cc2cc3ccc4ccccc4c3cc2cc1C
- Molecular Weight1
- 256.34
- CAS
- 58429-99-5
- Other Names
-
- benz[a]anthracene, 9,10-dimethyl-
- 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 | 0.5916 | Relay (1.0) Calculated Property | |
| ΔfG° | 511.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 223.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.763 | Crippen Calculated Property | |
| McVol | 210.520 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Inp | 2746.00 | NIST | |
| Tboil | 739.73 | K | Relay (1.0) Calculated Property |
| Tc | 1013.07 | K | Relay (1.0) Calculated Property |
| Tfus | 396.40 ± 0.80 | K | NIST |
| Vc | 0.798 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.71; 648.11] | 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 | -8.63300e+01 | |||
| Coefficient B | 1.57584e+00 | |||
| Coefficient C | -1.23740e-03 | |||
| Coefficient D | 3.96000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 259.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 333.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 397.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 451.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 497.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 536.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 569.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 598.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 624.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 648.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025581; 0.0007272] | Pa×s | [396.40; 709.75] |
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 | -8.81746e+00 | |||
| Coefficient B | 1.12934e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 396.40 | |||
| Temperature range, max. | 709.75 | |||
| η | 0.0025581 | Pa×s | 396.40 | Calculated Property |
| η | 0.0020325 | Pa×s | 431.22 | Calculated Property |
| η | 0.0016713 | Pa×s | 466.03 | Calculated Property |
| η | 0.0014122 | Pa×s | 500.85 | Calculated Property |
| η | 0.0012197 | Pa×s | 535.66 | Calculated Property |
| η | 0.0010724 | Pa×s | 570.48 | Calculated Property |
| η | 0.0009570 | Pa×s | 605.30 | Calculated Property |
| η | 0.0008647 | Pa×s | 640.11 | Calculated Property |
| η | 0.0007894 | Pa×s | 674.93 | Calculated Property |
| η | 0.0007272 | Pa×s | 709.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-Dimethylbenz(a)anthracene.
Sources
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