- InChI
- InChI=1S/C30H22/c1-3-10-23(11-4-1)25-14-7-16-27(20-25)29-18-9-19-30(22-29)28-17-8-15-26(21-28)24-12-5-2-6-13-24/h1-22H
- InChI Key
- XQCZQOSQCGDDPQ-UHFFFAOYSA-N
- Formula
- C30H22
- SMILES
-
c1ccc(-c2cccc(-c3cccc(-c4cccc(
-c5ccccc5)c4)c3)c2)cc1 - Molecular Weight1
- 382.50
- CAS
- 16716-13-5
- Other Names
-
- 1,1':3',1'':3'',1'':3'',1''''-quinquephenyl
- m-Quinquiphenyl
- m-quinquephenyl
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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 | 0.6584 | Relay (1.0) Calculated Property | |
| ΔfG° | 734.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 508.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 166.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 ± 0.05 | eV | NIST |
| log10WS | -10.84 | 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 | 823.91 | K | Relay (1.0) Calculated Property |
| Tc | 1133.40 | K | Relay (1.0) Calculated Property |
| Tfus | 478.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.159 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [976.86; 1053.65] | J/mol×K | [1034.14; 1323.15] | 
|
| Cp,gas | 976.86 | J/mol×K | 1034.14 | Joback Calculated Property |
| Cp,gas | 991.89 | J/mol×K | 1082.31 | Joback Calculated Property |
| Cp,gas | 1005.67 | J/mol×K | 1130.48 | Joback Calculated Property |
| Cp,gas | 1018.47 | J/mol×K | 1178.64 | Joback Calculated Property |
| Cp,gas | 1030.55 | J/mol×K | 1226.81 | Joback Calculated Property |
| Cp,gas | 1042.19 | J/mol×K | 1274.98 | Joback Calculated Property |
| Cp,gas | 1053.65 | J/mol×K | 1323.15 | Joback Calculated Property |
| Cp,solid | 443.70 | J/mol×K | 298.15 | Isomerization effect on the heat capacities and phase behavior of oligophenyls isomers series |
| η | [0.0000317; 0.0002934] | Pa×s | [597.52; 1034.14] |
|
| η | 0.0002934 | Pa×s | 597.52 | Joback Calculated Property |
| η | 0.0001656 | Pa×s | 670.29 | Joback Calculated Property |
| η | 0.0001045 | Pa×s | 743.06 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 815.83 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 888.60 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 961.37 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 1034.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1':3',1'':3'',1''':3''',1''''-Quinquephenyl.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Isomerization effect on the heat capacities and phase behavior of oligophenyls isomers series
- Joback Method
- McGowan Method
- NIST Webbook
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