- InChI
- InChI=1S/C18H18/c1-18(2,3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12H,1-3H3
- InChI Key
- WBPXZSIKOVBSAS-UHFFFAOYSA-N
- Formula
- C18H18
- SMILES
- CC(C)(C)c1ccc2cc3ccccc3cc2c1
- Molecular Weight1
- 234.34
- CAS
- 18801-00-8
- Other Names
-
- 2-(tert-butyl)anthracene
- 2-tert-Butylanthracene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 |
|---|---|---|---|
| EA | 0.50 ± 0.06 | eV | NIST |
| ΔfG° | 409.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 172.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.39 | Crippen Calculated Property | |
| logPoct/wat | 5.290 | Crippen Calculated Property | |
| McVol | 201.800 | ml/mol | McGowan Calculated Property |
| Pc | 2191.78 | kPa | Joback Calculated Property |
| Tboil | 682.61 | K | Joback Calculated Property |
| Tc | 930.31 | K | Joback Calculated Property |
| Tfus | 411.90 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.09; 623.51] | J/mol×K | [682.61; 930.31] | 
|
| Cp,gas | 536.09 | J/mol×K | 682.61 | Joback Calculated Property |
| Cp,gas | 553.50 | J/mol×K | 723.89 | Joback Calculated Property |
| Cp,gas | 569.54 | J/mol×K | 765.18 | Joback Calculated Property |
| Cp,gas | 584.39 | J/mol×K | 806.46 | Joback Calculated Property |
| Cp,gas | 598.21 | J/mol×K | 847.74 | Joback Calculated Property |
| Cp,gas | 611.20 | J/mol×K | 889.02 | Joback Calculated Property |
| Cp,gas | 623.51 | J/mol×K | 930.31 | Joback Calculated Property |
| η | [0.0003235; 0.0014835] | Pa×s | [411.90; 682.61] |
|
| η | 0.0014835 | Pa×s | 411.90 | Joback Calculated Property |
| η | 0.0010154 | Pa×s | 457.02 | Joback Calculated Property |
| η | 0.0007441 | Pa×s | 502.14 | Joback Calculated Property |
| η | 0.0005739 | Pa×s | 547.25 | Joback Calculated Property |
| η | 0.0004605 | Pa×s | 592.37 | Joback Calculated Property |
| η | 0.0003812 | Pa×s | 637.49 | Joback Calculated Property |
| η | 0.0003235 | Pa×s | 682.61 | Joback Calculated Property |
| ΔvapH | 84.50 | kJ/mol | 398.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.32; 201.78] | kPa | [480.15; 734.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.23342e+01 | |||
| Coefficient B | -4.27692e+03 | |||
| Coefficient C | -1.25514e+02 | |||
| Temperature range, min. | 480.15 | |||
| Temperature range, max. | 734.15 | |||
| Pvap | 1.32 | kPa | 480.15 | Calculated Property |
| Pvap | 3.20 | kPa | 508.37 | Calculated Property |
| Pvap | 6.89 | kPa | 536.59 | Calculated Property |
| Pvap | 13.44 | kPa | 564.82 | Calculated Property |
| Pvap | 24.20 | kPa | 593.04 | Calculated Property |
| Pvap | 40.73 | kPa | 621.26 | Calculated Property |
| Pvap | 64.83 | kPa | 649.48 | Calculated Property |
| Pvap | 98.39 | kPa | 677.71 | Calculated Property |
| Pvap | 143.38 | kPa | 705.93 | Calculated Property |
| Pvap | 201.78 | kPa | 734.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Anthracene, 2-(1,1-dimethylethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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