- InChI
- InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2
- InChI Key
- VYQNWZOUAUKGHI-UHFFFAOYSA-N
- Formula
- C13H12O2
- SMILES
- Oc1ccc(OCc2ccccc2)cc1
- Molecular Weight1
- 200.24
- Other Names
-
- 4-(Benzyloxy)phenol
- 4-(phenylmethoxy)phenol
- 4-[(phenylmethyl)oxy]phenol
- Agerite
- Agerite alba
- Alba-Dome
- Benoquin
- Benzoquin
- Benzyl hydroquinone
- Benzyl p-hydroxyphenyl ether
- Carmifal
- Depigman
- Dermochinona
- Hydrochinon monobenzylether
- Hydroquinone benzyl ether
- Hydroquinone monobenzyl ether
- Leucodinine
- Monobenzon
- Monobenzone
- Monobenzyl ether hydroquinone
- Monobenzyl ether of hydroquinone
- Monobenzyl hydroquinone
- NSC 2132
- Phenol, p-(benzyloxy)-
- Pigmex
- Superlite
- Superlite (antioxidant)
- p-(benzyloxy)phenol
- p-Hydroxyphenyl benzyl ether
- para-(Benzyloxy)phenol
- 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).
- Psub : Sublimation 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 | 0.6443 | Relay (1.0) Calculated Property | |
| ΔfG° | 23.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.83; 8.20] | eV |
|
| IE | 7.83 | eV | NIST |
| IE | 8.20 | eV | NIST |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.971 | Crippen Calculated Property | |
| McVol | 158.250 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Tboil | 605.40 | K | Relay (1.0) Calculated Property |
| Tc | 866.84 | K | Relay (1.0) Calculated Property |
| Tfus | 393.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.567 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.04; 493.88] | 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 | -6.01590e+01 | |||
| Coefficient B | 1.17240e+00 | |||
| Coefficient C | -8.91160e-04 | |||
| Coefficient D | 2.72800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 199.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 255.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 303.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 344.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 379.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 409.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 435.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 457.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 476.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 493.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013490; 0.0000229] | Pa×s | [393.15; 632.56] |
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 | -1.73835e+01 | |||
| Coefficient B | 4.23623e+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. | 393.15 | |||
| Temperature range, max. | 632.56 | |||
| η | 0.0013490 | Pa×s | 393.15 | Calculated Property |
| η | 0.0006815 | Pa×s | 419.75 | Calculated Property |
| η | 0.0003735 | Pa×s | 446.35 | Calculated Property |
| η | 0.0002190 | Pa×s | 472.95 | Calculated Property |
| η | 0.0001359 | Pa×s | 499.55 | Calculated Property |
| η | 0.0000885 | Pa×s | 526.15 | Calculated Property |
| η | 0.0000601 | Pa×s | 552.75 | Calculated Property |
| η | 0.0000423 | Pa×s | 579.36 | Calculated Property |
| η | 0.0000307 | Pa×s | 605.96 | Calculated Property |
| η | 0.0000229 | Pa×s | 632.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-(phenylmethoxy)-.
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
- Experimental and computational study on the molecular energetics of benzyloxyphenol isomers
- Joback Method
- McGowan Method
- NIST Webbook
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