- InChI
- InChI=1S/C22H20/c1-13-5-7-17-18-8-6-14(2)11-20(18)22-16(4)9-15(3)12-21(22)19(17)10-13/h5-12H,1-4H3
- InChI Key
- VJSMOLXOGQALLK-UHFFFAOYSA-N
- Formula
- C22H20
- SMILES
-
Cc1ccc2c3ccc(C)cc3c3c(C)cc(C)c
c3c2c1 - Molecular Weight1
- 284.39
- 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 | 0.6633 | Relay (1.0) Calculated Property | |
| ΔfG° | 508.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 164.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.380 | Crippen Calculated Property | |
| McVol | 238.700 | ml/mol | McGowan Calculated Property |
| Pc | 1804.63 | kPa | Joback Calculated Property |
| Inp | [461.72; 461.72] |
|
|
| Inp | 461.72 | NIST | |
| Inp | 461.72 | NIST | |
| Inp | 461.72 | NIST | |
| Tboil | 743.44 | K | Relay (1.0) Calculated Property |
| Tc | 1023.61 | K | Relay (1.0) Calculated Property |
| Tfus | 417.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.908 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.24; 745.21] | 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 | -5.95500e+01 | |||
| Coefficient B | 1.64688e+00 | |||
| Coefficient C | -1.21212e-03 | |||
| Coefficient D | 3.70000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 307.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 387.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 457.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 517.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 569.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 614.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 653.34 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 687.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 717.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 745.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012783; 0.0006840] | Pa×s | [537.34; 742.72] |
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 | -8.92361e+00 | |||
| Coefficient B | 1.21514e+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. | 537.34 | |||
| Temperature range, max. | 742.72 | |||
| η | 0.0012783 | Pa×s | 537.34 | Calculated Property |
| η | 0.0011658 | Pa×s | 560.16 | Calculated Property |
| η | 0.0010709 | Pa×s | 582.98 | Calculated Property |
| η | 0.0009900 | Pa×s | 605.80 | Calculated Property |
| η | 0.0009205 | Pa×s | 628.62 | Calculated Property |
| η | 0.0008602 | Pa×s | 651.44 | Calculated Property |
| η | 0.0008076 | Pa×s | 674.26 | Calculated Property |
| η | 0.0007613 | Pa×s | 697.08 | Calculated Property |
| η | 0.0007204 | Pa×s | 719.90 | Calculated Property |
| η | 0.0006840 | Pa×s | 742.72 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,6,11-tetramethyl-triphenylene.
Sources
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