- 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 (... Calculated Property | |
| ΔfG° | 511.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 223.65 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.69 | kJ/mol | Relay (... Calculated Property |
| IE | 7.09 | eV | Relay (... Calculated Property |
| log10WS | -8.04 | Relay (... 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 (... Calculated Property |
| Tc | 1011.71 | K | Relay (... Calculated Property |
| Tfus | 396.40 ± 0.80 | K | NIST |
| Vc | 0.799 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.63; 652.05] | J/mol×K | [760.54; 1013.66] | 
|
| Cp,gas | 570.63 | J/mol×K | 760.54 | Joback Calculated Property |
| Cp,gas | 586.13 | J/mol×K | 802.73 | Joback Calculated Property |
| Cp,gas | 600.62 | J/mol×K | 844.91 | Joback Calculated Property |
| Cp,gas | 614.28 | J/mol×K | 887.10 | Joback Calculated Property |
| Cp,gas | 627.28 | J/mol×K | 929.28 | Joback Calculated Property |
| Cp,gas | 639.81 | J/mol×K | 971.47 | Joback Calculated Property |
| Cp,gas | 652.05 | J/mol×K | 1013.66 | Joback Calculated Property |
| η | [0.0006539; 0.0014862] | Pa×s | [489.76; 760.54] |
|
| η | 0.0014862 | Pa×s | 489.76 | Joback Calculated Property |
| η | 0.0012234 | Pa×s | 534.89 | Joback Calculated Property |
| η | 0.0010381 | Pa×s | 580.02 | Joback Calculated Property |
| η | 0.0009019 | Pa×s | 625.15 | Joback Calculated Property |
| η | 0.0007987 | Pa×s | 670.28 | Joback Calculated Property |
| η | 0.0007181 | Pa×s | 715.41 | Joback Calculated Property |
| η | 0.0006539 | Pa×s | 760.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,10-Dimethylbenz(a)anthracene.
Sources
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