- InChI
- InChI=1S/C22H22O/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15,23H,1-3H3
- InChI Key
- DNWQXZDDISHGRM-UHFFFAOYSA-N
- Formula
- C22H22O
- SMILES
-
Cc1ccc(C(O)(c2ccc(C)cc2)c2ccc(
C)cc2)cc1 - Molecular Weight1
- 302.42
- Other Names
-
- 4,4',4''-Trimethyltriphenylmethanol
- 4,4',4''-trimethyltrityl alcohol
- Benzenemethanol, 4-methyl-«alpha»,«alpha»-bis(4-methylphenyl)-
- Methanol, tri-p-tolyl-
- Tri(p-tolyl)methanol
- Tris(4-methylphenyl)methanol
- 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).
- ΔfH°solid : Solid phase 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 | 0.8092 | Relay (1.0) Calculated Property | |
| ΔfG° | 308.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 37.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -67.00 ± 24.00 | kJ/mol | NIST |
| ΔfusH° | 30.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.896 | Crippen Calculated Property | |
| McVol | 255.430 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Tboil | 644.78 | K | Relay (1.0) Calculated Property |
| Tc | 972.85 | K | Relay (1.0) Calculated Property |
| Tfus | [364.65; 368.15] | K |
|
| Tfus | 368.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 364.65 ± 2.00 | K | NIST |
| Vc | 0.921 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.11; 809.77] | 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 | -9.51100e+01 | |||
| Coefficient B | 1.83846e+00 | |||
| Coefficient C | -1.26768e-03 | |||
| Coefficient D | 3.34100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 319.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 411.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 491.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 561.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 621.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 672.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 715.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 752.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 783.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 809.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0096136; 0.0000181] | Pa×s | [366.40; 789.74] |
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 | -1.63492e+01 | |||
| Coefficient B | 4.28857e+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. | 366.40 | |||
| Temperature range, max. | 789.74 | |||
| η | 0.0096136 | Pa×s | 366.40 | Calculated Property |
| η | 0.0025384 | Pa×s | 413.44 | Calculated Property |
| η | 0.0008798 | Pa×s | 460.48 | Calculated Property |
| η | 0.0003711 | Pa×s | 507.51 | Calculated Property |
| η | 0.0001812 | Pa×s | 554.55 | Calculated Property |
| η | 0.0000990 | Pa×s | 601.59 | Calculated Property |
| η | 0.0000590 | Pa×s | 648.63 | Calculated Property |
| η | 0.0000378 | Pa×s | 695.66 | Calculated Property |
| η | 0.0000255 | Pa×s | 742.70 | Calculated Property |
| η | 0.0000181 | Pa×s | 789.74 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,4',4"-TRIMETHYLTRITYL ALCOHOL.
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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