- InChI
- InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h1-18H
- InChI Key
- XXCVBOQRPQKVKY-UHFFFAOYSA-N
- Formula
- C24H18
- SMILES
-
c1ccc(-c2ccc(-c3ccccc3)c(-c3cc
ccc3)c2)cc1 - Molecular Weight1
- 306.40
- CAS
- 1165-53-3
- Other Names
-
- 1,2,4-Triphenylbenzene
- m-Terphenyl, 4'-phenyl-
- Benzene, 1,2,4-triphenyl-
- 1,1':4',1''-Terphenyl, 2'-phenyl-
- o-Terphenyl, 4'-phenyl
- 1,3,4-Triphenylbenzene
- 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 | 0.5533 | Relay (1.0) Calculated Property | |
| ΔfG° | 581.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 422.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.688 | Crippen Calculated Property | |
| McVol | 253.980 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Inp | [2853.00; 2853.00] |
|
|
| Inp | 2853.00 | NIST | |
| Inp | 2853.00 | NIST | |
| Tboil | 736.05 | K | Relay (1.0) Calculated Property |
| Tc | 1021.76 | K | Relay (1.0) Calculated Property |
| Tfus | 370.00 ± 3.00 | K | NIST |
| Vc | 0.938 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.69; 777.33] | 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 | -1.25950e+02 | |||
| Coefficient B | 1.84920e+00 | |||
| Coefficient C | -1.27252e-03 | |||
| Coefficient D | 3.26600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 290.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 383.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 464.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 533.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 593.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 644.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 686.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 722.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 752.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 777.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036605; 0.0000827] | Pa×s | [370.00; 802.62] |
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 | -1.26411e+01 | |||
| Coefficient B | 2.60144e+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. | 370.00 | |||
| Temperature range, max. | 802.62 | |||
| η | 0.0036605 | Pa×s | 370.00 | Calculated Property |
| η | 0.0016310 | Pa×s | 418.07 | Calculated Property |
| η | 0.0008586 | Pa×s | 466.14 | Calculated Property |
| η | 0.0005096 | Pa×s | 514.21 | Calculated Property |
| η | 0.0003307 | Pa×s | 562.27 | Calculated Property |
| η | 0.0002297 | Pa×s | 610.34 | Calculated Property |
| η | 0.0001683 | Pa×s | 658.41 | Calculated Property |
| η | 0.0001286 | Pa×s | 706.48 | Calculated Property |
| η | 0.0001017 | Pa×s | 754.55 | Calculated Property |
| η | 0.0000827 | Pa×s | 802.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1':2',1''-Terphenyl, 4'-phenyl-.
Sources
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