- InChI
- InChI=1S/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H
- InChI Key
- NIPKXTKKYSKEON-UHFFFAOYSA-N
- Formula
- C25H20O
- SMILES
-
Oc1ccc(C(c2ccccc2)(c2ccccc2)c2
ccccc2)cc1 - Molecular Weight1
- 336.43
- Other Names
-
- 4-Tritylphenol
- p-Cresol, «alpha»,«alpha»,«alpha»-triphenyl-
- p-Triphenylmethylphenol
- p-Tritylphenol
- 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).
- 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 | 0.6951 | Relay (1.0) Calculated Property | |
| ΔfG° | 457.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 263.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.775 | Crippen Calculated Property | |
| McVol | 273.940 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Tboil | 717.18 | K | Relay (1.0) Calculated Property |
| Tc | 1076.16 | K | Relay (1.0) Calculated Property |
| Tfus | [554.15; 555.00] | K |
|
| Tfus | 554.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 555.00 ± 4.00 | K | NIST |
| Vc | 0.928 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.23; 858.89] | 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 | -1.88850e+02 | |||
| Coefficient B | 2.34360e+00 | |||
| Coefficient C | -1.88916e-03 | |||
| Coefficient D | 5.93300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 322.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 430.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 521.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 598.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 662.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 715.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 760.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 797.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 829.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 858.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001053; 0.0000027] | Pa×s | [554.58; 872.90] |
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 | -1.91686e+01 | |||
| Coefficient B | 5.55144e+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. | 554.58 | |||
| Temperature range, max. | 872.90 | |||
| η | 0.0001053 | Pa×s | 554.58 | Calculated Property |
| η | 0.0000578 | Pa×s | 589.94 | Calculated Property |
| η | 0.0000339 | Pa×s | 625.31 | Calculated Property |
| η | 0.0000211 | Pa×s | 660.68 | Calculated Property |
| η | 0.0000138 | Pa×s | 696.05 | Calculated Property |
| η | 0.0000094 | Pa×s | 731.42 | Calculated Property |
| η | 0.0000066 | Pa×s | 766.79 | Calculated Property |
| η | 0.0000048 | Pa×s | 802.16 | Calculated Property |
| η | 0.0000036 | Pa×s | 837.53 | Calculated Property |
| η | 0.0000027 | Pa×s | 872.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-(triphenylmethyl)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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