- InChI
- InChI=1S/C17H20O2/c1-11-9-13(5-7-15(11)18)17(3,4)14-6-8-16(19)12(2)10-14/h5-10,18-19H,1-4H3
- InChI Key
- YMTYZTXUZLQUSF-UHFFFAOYSA-N
- Formula
- C17H20O2
- SMILES
-
Cc1cc(C(C)(C)c2ccc(O)c(C)c2)cc
c1O - Molecular Weight1
- 256.35
- Other Names
-
- 2,2-Bis(3-methyl-4-hydroxyphenyl)propane
- 2,2-Bis(4-hydroxy-3-methylphenyl)propane
- 3,3'-Dimethylbisphenol A
- 3,3'-Dimethyldian
- 4,4'-Isopropylidenebis[2-methylphenol]
- 4,4'-Isopropylidenedi-o-cresol
- Dicresylolpropane
- NSC 408489
- Nonox DCP
- o-Cresol, 4,4'-(2,2-propylene)bis-
- o-Cresol, 4,4'-isopropylidenedi-
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.7462 | Relay (1.0) Calculated Property | |
| ΔfG° | -8.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -272.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.041 | Crippen Calculated Property | |
| McVol | 214.610 | ml/mol | McGowan Calculated Property |
| Pc | 2767.17 | kPa | Joback Calculated Property |
| Tboil | 581.95 | K | Relay (1.0) Calculated Property |
| Tc | 908.74 | K | Relay (1.0) Calculated Property |
| Tfus | 412.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.746 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 514.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.02; 699.55] | 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 | -9.40900e+01 | |||
| Coefficient B | 1.77708e+00 | |||
| Coefficient C | -1.51384e-03 | |||
| Coefficient D | 5.30400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 289.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 368.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 435.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 492.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 539.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 579.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 614.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 644.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 672.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 699.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019020; 0.0000008] | Pa×s | [412.15; 745.05] |
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 | -2.35925e+01 | |||
| Coefficient B | 7.14158e+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. | 412.15 | |||
| Temperature range, max. | 745.05 | |||
| η | 0.0019020 | Pa×s | 412.15 | Calculated Property |
| η | 0.0004565 | Pa×s | 449.14 | Calculated Property |
| η | 0.0001362 | Pa×s | 486.13 | Calculated Property |
| η | 0.0000482 | Pa×s | 523.12 | Calculated Property |
| η | 0.0000196 | Pa×s | 560.10 | Calculated Property |
| η | 0.0000089 | Pa×s | 597.09 | Calculated Property |
| η | 0.0000044 | Pa×s | 634.08 | Calculated Property |
| η | 0.0000024 | Pa×s | 671.07 | Calculated Property |
| η | 0.0000014 | Pa×s | 708.06 | Calculated Property |
| η | 0.0000008 | Pa×s | 745.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4,4'-(1-methylethylidene)bis[2-methyl-.
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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