![Benzene, 1,1',1'',1''',1'''',1'''''-[bi-2-cyclopropen-1-yl]-1,1',2,2',3,3'-hexaylhexakis-](/cid/34-951-8/Benzene-1-1-1-1-1-1-bi-2-cyclopropen-1-yl-1-1-2-2-3-3-hexaylhexakis.png "Benzene, 1,1',1'',1''',1'''',1'''''-[bi-2-cyclopropen-1-yl]-1,1',2,2',3,3'-hexaylhexakis-")
- InChI
- InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)41(37,35-27-15-5-16-28-35)42(36-29-17-6-18-30-36)39(33-23-11-3-12-24-33)40(42)34-25-13-4-14-26-34/h1-30H
- InChI Key
- DQELQSOUCKXCIO-UHFFFAOYSA-N
- Formula
- C42H30
- SMILES
-
c1ccc(C2=C(c3ccccc3)C2(c2ccccc
2)C2(c3ccccc3)C(c3ccccc3)=C2c2 ccccc2)cc1 - Molecular Weight1
- 534.69
- CAS
- 4997-62-0
- Other Names
-
- Cyclopropene,bis-3,3'-triphenyl-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.6069 | Relay (1.0) Calculated Property | |
| ΔfG° | 1109.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 880.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 178.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.72 ± 0.05 | eV | NIST |
| log10WS | -10.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.112 | Crippen Calculated Property | |
| McVol | 429.760 | ml/mol | McGowan Calculated Property |
| Pc | 1187.42 | kPa | Joback Calculated Property |
| Tboil | 830.06 | K | Relay (1.0) Calculated Property |
| Tc | 1318.39 | K | Relay (1.0) Calculated Property |
| Tfus | 523.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.545 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.43; 1374.37] | 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 | -3.66430e+02 | |||
| Coefficient B | 4.05600e+00 | |||
| Coefficient C | -3.66020e-03 | |||
| Coefficient D | 1.34500e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 495.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 669.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 815.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 935.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1035.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1119.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1190.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1253.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1313.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1374.37 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Sources
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