![Phenol, 2-[1-(4-hydroxyphenyl)-1-methylethyl]-](/cid/13-320-1/Phenol-2-1-4-hydroxyphenyl-1-methylethyl.png "Phenol, 2-[1-(4-hydroxyphenyl)-1-methylethyl]-")
- InChI
- InChI=1S/C15H16O2/c1-15(2,11-7-9-12(16)10-8-11)13-5-3-4-6-14(13)17/h3-10,16-17H,1-2H3
- InChI Key
- MLCQXUZZAXKTSG-UHFFFAOYSA-N
- Formula
- C15H16O2
- SMILES
- CC(C)(c1ccc(O)cc1)c1ccccc1O
- Molecular Weight1
- 228.29
- Other Names
-
- 2,4'-Bisphenol A
- 2,4'-Dihydroxydiphenyldimethylmethane
- 2,4'-Isopropylidenediphenol
- 2-(4'-Hydroxyphenyl)-2-(2'-hydroxyphenyl)propane
- O,p-bisphenol a
- o-[1-(4-hydroxyphenyl)-1-methylethyl]phenol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Ptriple : Triple Point Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- λliquid : Liquid thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9320 | ChemSep v8.3 pure component data Compiled value | |
| μ | 2.25 | debye | ChemSep v8.3 pure component data Compiled value |
| ΔfG° | 120.60 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -144.19 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfusH° | 26.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.424 | Crippen Calculated Property | |
| McVol | 186.430 | ml/mol | McGowan Calculated Property |
| Pc | 2925.00 | kPa | ChemSep v8.3 pure component data Compiled value |
| Ptriple | 7.91e-05 | kPa | ChemSep v8.3 pure component data Compiled value |
| Tboil | 633.70 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 849.10 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | 384.15 | K | ChemSep v8.3 pure component data Compiled value |
| Ttriple | 384.15 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 6.50 | ChemSep v8.3 pure component data Compiled value | |
| URi | 8.79 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 0.676 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2800000 | ChemSep v8.3 pure component data Compiled value |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.00; 705.37] | J/mol×K | [255.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.20000e+02 | |||
| Coefficient B | -5.25000e+02 | |||
| Coefficient C | 6.72224e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 255.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 226.00 | J/mol×K | 255.00 | Calculated Property |
| Cp,gas | 338.66 | J/mol×K | 393.33 | Calculated Property |
| Cp,gas | 429.45 | J/mol×K | 531.67 | Calculated Property |
| Cp,gas | 499.43 | J/mol×K | 670.00 | Calculated Property |
| Cp,gas | 553.88 | J/mol×K | 808.33 | Calculated Property |
| Cp,gas | 597.07 | J/mol×K | 946.67 | Calculated Property |
| Cp,gas | 632.03 | J/mol×K | 1085.00 | Calculated Property |
| Cp,gas | 660.82 | J/mol×K | 1223.33 | Calculated Property |
| Cp,gas | 684.92 | J/mol×K | 1361.67 | Calculated Property |
| Cp,gas | 705.37 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | [547.53; 713.34] | J/mol×K | [384.15; 633.70] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K | |||
| Coefficient A | -3.60320e+01 | |||
| Coefficient B | 2.03720e+00 | |||
| Coefficient C | -1.34870e-03 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 384.15 | |||
| Temperature range, max. | 633.70 | |||
| Cp,liquid | 547.53 | J/mol×K | 384.15 | Calculated Property |
| Cp,liquid | 574.25 | J/mol×K | 411.88 | Calculated Property |
| Cp,liquid | 598.89 | J/mol×K | 439.61 | Calculated Property |
| Cp,liquid | 621.46 | J/mol×K | 467.33 | Calculated Property |
| Cp,liquid | 641.96 | J/mol×K | 495.06 | Calculated Property |
| Cp,liquid | 660.38 | J/mol×K | 522.79 | Calculated Property |
| Cp,liquid | 676.73 | J/mol×K | 550.52 | Calculated Property |
| Cp,liquid | 691.01 | J/mol×K | 578.24 | Calculated Property |
| Cp,liquid | 703.21 | J/mol×K | 605.97 | Calculated Property |
| Cp,liquid | 713.34 | J/mol×K | 633.70 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022192; 0.0002461] | Pa×s | [384.15; 633.70] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -4.14540e+01 | |||
| Coefficient B | 4.15710e+03 | |||
| Coefficient C | 4.12060e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 384.15 | |||
| Temperature range, max. | 633.70 | |||
| η | 0.0022192 | Pa×s | 384.15 | Calculated Property |
| η | 0.0014273 | Pa×s | 411.88 | Calculated Property |
| η | 0.0009877 | Pa×s | 439.61 | Calculated Property |
| η | 0.0007252 | Pa×s | 467.33 | Calculated Property |
| η | 0.0005587 | Pa×s | 495.06 | Calculated Property |
| η | 0.0004480 | Pa×s | 522.79 | Calculated Property |
| η | 0.0003714 | Pa×s | 550.52 | Calculated Property |
| η | 0.0003166 | Pa×s | 578.24 | Calculated Property |
| η | 0.0002764 | Pa×s | 605.97 | Calculated Property |
| η | 0.0002461 | Pa×s | 633.70 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [137.90; 0.00] | kJ/mol | [384.15; 849.10] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 1.94970e+02 | |||
| Coefficient B | 1.43480e-01 | |||
| Coefficient C | 1.35830e+00 | |||
| Coefficient D | -8.93980e-01 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 8.49100e+02 | |||
| Temperature range, min. | 384.15 | |||
| Temperature range, max. | 849.10 | |||
| ΔvapH | 137.90 | kJ/mol | 384.15 | Calculated Property |
| ΔvapH | 126.11 | kJ/mol | 435.81 | Calculated Property |
| ΔvapH | 114.01 | kJ/mol | 487.47 | Calculated Property |
| ΔvapH | 101.73 | kJ/mol | 539.13 | Calculated Property |
| ΔvapH | 89.34 | kJ/mol | 590.79 | Calculated Property |
| ΔvapH | 76.78 | kJ/mol | 642.46 | Calculated Property |
| ΔvapH | 63.84 | kJ/mol | 694.12 | Calculated Property |
| ΔvapH | 49.92 | kJ/mol | 745.78 | Calculated Property |
| ΔvapH | 33.36 | kJ/mol | 797.44 | Calculated Property |
| ΔvapH | 0.00 | kJ/mol | 849.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [7.93e-05; 2934.17] | kPa | [384.15; 849.10] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.35862e+02 | |||
| Coefficient B | -2.77710e+04 | |||
| Coefficient C | -2.90740e+01 | |||
| Coefficient D | 2.42430e-18 | |||
| Coefficient E | 6.00000e+00 | |||
| Temperature range, min. | 384.15 | |||
| Temperature range, max. | 849.10 | |||
| Pvap | 7.93e-05 | kPa | 384.15 | Calculated Property |
| Pvap | 0.01 | kPa | 435.81 | Calculated Property |
| Pvap | 0.36 | kPa | 487.47 | Calculated Property |
| Pvap | 4.65 | kPa | 539.13 | Calculated Property |
| Pvap | 30.70 | kPa | 590.79 | Calculated Property |
| Pvap | 125.75 | kPa | 642.46 | Calculated Property |
| Pvap | 366.33 | kPa | 694.12 | Calculated Property |
| Pvap | 840.37 | kPa | 745.78 | Calculated Property |
| Pvap | 1644.57 | kPa | 797.44 | Calculated Property |
| Pvap | 2934.17 | kPa | 849.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [986.59; 337.82] | kg/m3 | [384.15; 849.10] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 9.45903e+01 | |||
| Coefficient B | 2.80000e-01 | |||
| Coefficient C | 8.49100e+02 | |||
| Coefficient D | 2.85710e-01 | |||
| Temperature range, min. | 384.15 | |||
| Temperature range, max. | 849.10 | |||
| ρl | 986.59 | kg/m3 | 384.15 | Calculated Property |
| ρl | 952.22 | kg/m3 | 435.81 | Calculated Property |
| ρl | 915.99 | kg/m3 | 487.47 | Calculated Property |
| ρl | 877.45 | kg/m3 | 539.13 | Calculated Property |
| ρl | 835.96 | kg/m3 | 590.79 | Calculated Property |
| ρl | 790.46 | kg/m3 | 642.46 | Calculated Property |
| ρl | 739.18 | kg/m3 | 694.12 | Calculated Property |
| ρl | 678.50 | kg/m3 | 745.78 | Calculated Property |
| ρl | 598.60 | kg/m3 | 797.44 | Calculated Property |
| ρl | 337.82 | kg/m3 | 849.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| γ | [0.02; 0.00] | N/m | [384.15; 849.10] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K | |||
| Coefficient A | 4.89000e-02 | |||
| Coefficient B | 1.13220e+00 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Critical temperature, Tc (K) | 8.49100e+02 | |||
| Temperature range, min. | 384.15 | |||
| Temperature range, max. | 849.10 | |||
| γ | 0.02 | N/m | 384.15 | Calculated Property |
| γ | 0.02 | N/m | 435.81 | Calculated Property |
| γ | 0.02 | N/m | 487.47 | Calculated Property |
| γ | 0.02 | N/m | 539.13 | Calculated Property |
| γ | 0.01 | N/m | 590.79 | Calculated Property |
| γ | 0.01 | N/m | 642.46 | Calculated Property |
| γ | 0.01 | N/m | 694.12 | Calculated Property |
| γ | 0.00 | N/m | 745.78 | Calculated Property |
| γ | 0.00 | N/m | 797.44 | Calculated Property |
| γ | 0.00 | N/m | 849.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.03; 0.05] | W/m×K | [633.70; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | 1.15830e-04 | |||
| Coefficient B | 9.77590e-01 | |||
| Coefficient C | 8.08010e+02 | |||
| Coefficient D | 0.00000e+00 | |||
| Temperature range, min. | 633.70 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.03 | W/m×K | 633.70 | Calculated Property |
| λgas | 0.03 | W/m×K | 674.40 | Calculated Property |
| λgas | 0.03 | W/m×K | 715.10 | Calculated Property |
| λgas | 0.04 | W/m×K | 755.80 | Calculated Property |
| λgas | 0.04 | W/m×K | 796.50 | Calculated Property |
| λgas | 0.04 | W/m×K | 837.20 | Calculated Property |
| λgas | 0.05 | W/m×K | 877.90 | Calculated Property |
| λgas | 0.05 | W/m×K | 918.60 | Calculated Property |
| λgas | 0.05 | W/m×K | 959.30 | Calculated Property |
| λgas | 0.05 | W/m×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λliquid | [0.13; 0.11] | W/m×K | [384.15; 633.70] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λliquid in W/m×K, T in K | |||
| Coefficient A | 1.79720e-01 | |||
| Coefficient B | -1.17810e-04 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 384.15 | |||
| Temperature range, max. | 633.70 | |||
| λliquid | 0.13 | W/m×K | 384.15 | Calculated Property |
| λliquid | 0.13 | W/m×K | 411.88 | Calculated Property |
| λliquid | 0.13 | W/m×K | 439.61 | Calculated Property |
| λliquid | 0.12 | W/m×K | 467.33 | Calculated Property |
| λliquid | 0.12 | W/m×K | 495.06 | Calculated Property |
| λliquid | 0.12 | W/m×K | 522.79 | Calculated Property |
| λliquid | 0.11 | W/m×K | 550.52 | Calculated Property |
| λliquid | 0.11 | W/m×K | 578.24 | Calculated Property |
| λliquid | 0.11 | W/m×K | 605.97 | Calculated Property |
| λliquid | 0.11 | W/m×K | 633.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-[1-(4-hydroxyphenyl)-1-methylethyl]-.
Sources
- Cheméo Relay (1.0)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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