- InChI
- InChI=1S/C30H22/c1-5-13-23(14-6-1)27-21-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(22-27)25-17-9-3-10-18-25/h1-22H
- InChI Key
- SKTCWUHHHPSBCJ-UHFFFAOYSA-N
- Formula
- C30H22
- SMILES
-
c1ccc(-c2cc(-c3ccccc3)c(-c3ccc
cc3)c(-c3ccccc3)c2)cc1 - Molecular Weight1
- 382.50
- CAS
- 912-61-8
- 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).
- 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 | 0.6445 | Relay (1.0) Calculated Property | |
| ΔfG° | 734.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 550.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 155.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.355 | Crippen Calculated Property | |
| McVol | 314.760 | ml/mol | McGowan Calculated Property |
| Pc | 1615.47 | kPa | Joback Calculated Property |
| Tboil | 802.25 | K | Relay (1.0) Calculated Property |
| Tc | 1135.37 | K | Relay (1.0) Calculated Property |
| Tfus | 453.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.143 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.26; 965.31] | 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 | -1.51010e+02 | |||
| Coefficient B | 2.28080e+00 | |||
| Coefficient C | -1.56308e-03 | |||
| Coefficient D | 3.98600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 363.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 477.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 577.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 663.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 737.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 800.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 853.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 897.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 934.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 965.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002934; 0.0000452] | Pa×s | [597.52; 926.38] |
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 | -1.34033e+01 | |||
| Coefficient B | 3.14856e+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. | 597.52 | |||
| Temperature range, max. | 926.38 | |||
| η | 0.0002934 | Pa×s | 597.52 | Calculated Property |
| η | 0.0002166 | Pa×s | 634.06 | Calculated Property |
| η | 0.0001652 | Pa×s | 670.60 | Calculated Property |
| η | 0.0001296 | Pa×s | 707.14 | Calculated Property |
| η | 0.0001042 | Pa×s | 743.68 | Calculated Property |
| η | 0.0000854 | Pa×s | 780.22 | Calculated Property |
| η | 0.0000713 | Pa×s | 816.76 | Calculated Property |
| η | 0.0000605 | Pa×s | 853.30 | Calculated Property |
| η | 0.0000520 | Pa×s | 889.84 | Calculated Property |
| η | 0.0000452 | Pa×s | 926.38 | Calculated Property |
Similar Compounds
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Sources
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