- InChI
- InChI=1S/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H
- InChI Key
- QBHWPVJPWQGYDS-UHFFFAOYSA-N
- Formula
- C42H30
- SMILES
-
c1ccc(-c2c(-c3ccccc3)c(-c3cccc
c3)c(-c3ccccc3)c(-c3ccccc3)c2- c2ccccc2)cc1 - Molecular Weight1
- 534.69
- CAS
- 992-04-1
- Other Names
-
- Benzene, hexaphenyl-
- 1,1':2',1''-Terphenyl, 3',4',5',6'-tetraphenyl-
- m-Terphenyl, 2',4',5',6'-tetraphenyl-
- 3',4',5',6'-tetraphenyl-o-terphenyl
- 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 |
|---|---|---|---|
| ΔfG° | 1041.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 688.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.33 | kJ/mol | Joback Calculated Property |
| IE | 8.47 ± 0.05 | eV | NIST |
| log10WS | -17.09 | Crippen Calculated Property | |
| logPoct/wat | 11.689 | Crippen Calculated Property | |
| McVol | 436.320 | ml/mol | McGowan Calculated Property |
| Pc | 1105.21 | kPa | Joback Calculated Property |
| Tboil | 1372.02 | K | Joback Calculated Property |
| Tc | 1688.44 | K | Joback Calculated Property |
| Tfus | 810.64 | K | Joback Calculated Property |
| Vc | 1.631 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1477.57; 1606.36] | J/mol×K | [1372.02; 1688.44] | 
|
| Cp,gas | 1477.57 | J/mol×K | 1372.02 | Joback Calculated Property |
| Cp,gas | 1495.01 | J/mol×K | 1424.76 | Joback Calculated Property |
| Cp,gas | 1513.42 | J/mol×K | 1477.49 | Joback Calculated Property |
| Cp,gas | 1533.29 | J/mol×K | 1530.23 | Joback Calculated Property |
| Cp,gas | 1555.08 | J/mol×K | 1582.97 | Joback Calculated Property |
| Cp,gas | 1579.28 | J/mol×K | 1635.71 | Joback Calculated Property |
| Cp,gas | 1606.36 | J/mol×K | 1688.44 | Joback Calculated Property |
| η | [0.0000065; 0.0000553] | Pa×s | [810.64; 1372.02] |
|
| η | 0.0000553 | Pa×s | 810.64 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 904.20 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 997.77 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 1091.33 | Joback Calculated Property |
| η | 0.0000106 | Pa×s | 1184.89 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 1278.46 | Joback Calculated Property |
| η | 0.0000065 | Pa×s | 1372.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexaphenylbenzene.
Sources
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