- 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
- 200.23
- CAS
- 103-16-2
- 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
- Monobenzyl ether hydroquinone
- Monobenzyl ether of hydroquinone
- Monobenzyl hydroquinone
- NSC 2132
- Phenol, 4-(phenylmethoxy)-
- Phenol, p-(benzyloxy)-
- Pigmex
- Superlite
- Superlite (antioxidant)
- p-(benzyloxy)phenol
- p-Hydroxyphenyl benzyl ether
- para-(Benzyloxy)phenol
- 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 |
|---|---|---|---|
| ΔfG° | 23.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -148.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.51 | kJ/mol | Joback Calculated Property |
| IE | [7.83; 8.20] | eV |
|
| IE | 7.83 | eV | NIST |
| IE | 8.20 | eV | NIST |
| log10WS | -3.25 | Crippen 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 | 653.24 | K | Joback Calculated Property |
| Tc | 903.38 | K | Joback Calculated Property |
| Tfus | 423.06 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.47; 472.81] | J/mol×K | [653.24; 903.38] |
|
| Cp,gas | 401.47 | J/mol×K | 653.24 | Joback Calculated Property |
| Cp,gas | 415.76 | J/mol×K | 694.93 | Joback Calculated Property |
| Cp,gas | 428.94 | J/mol×K | 736.62 | Joback Calculated Property |
| Cp,gas | 441.11 | J/mol×K | 778.31 | Joback Calculated Property |
| Cp,gas | 452.41 | J/mol×K | 820.00 | Joback Calculated Property |
| Cp,gas | 462.93 | J/mol×K | 861.69 | Joback Calculated Property |
| Cp,gas | 472.81 | J/mol×K | 903.38 | Joback Calculated Property |
| η | [0.0000185; 0.0006297] | Pa×s | [423.06; 653.24] |
|
| η | 0.0006297 | Pa×s | 423.06 | Joback Calculated Property |
| η | 0.0002739 | Pa×s | 461.42 | Joback Calculated Property |
| η | 0.0001354 | Pa×s | 499.79 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 538.15 | Joback Calculated Property |
| η | 0.0000438 | Pa×s | 576.51 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 614.88 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 653.24 | Joback Calculated Property |
| Psub | [8.60e-05; 1.24e-03] | kPa | [347.16; 369.12] |
|
| Psub | 8.70e-05 | kPa | 347.16 | Experim... |
| Psub | 8.70e-05 | kPa | 347.16 | Experim... |
| Psub | 8.60e-05 | kPa | 347.16 | Experim... |
| Psub | 1.16e-04 | kPa | 349.18 | Experim... |
| Psub | 1.16e-04 | kPa | 349.18 | Experim... |
| Psub | 1.12e-04 | kPa | 349.18 | Experim... |
| Psub | 1.40e-04 | kPa | 351.13 | Experim... |
| Psub | 1.46e-04 | kPa | 351.13 | Experim... |
| Psub | 1.46e-04 | kPa | 351.13 | Experim... |
| Psub | 1.81e-04 | kPa | 353.16 | Experim... |
| Psub | 1.81e-04 | kPa | 353.16 | Experim... |
| Psub | 1.89e-04 | kPa | 353.16 | Experim... |
| Psub | 2.36e-04 | kPa | 355.16 | Experim... |
| Psub | 2.33e-04 | kPa | 355.16 | Experim... |
| Psub | 2.33e-04 | kPa | 355.16 | Experim... |
| Psub | 2.94e-04 | kPa | 357.12 | Experim... |
| Psub | 3.05e-04 | kPa | 357.12 | Experim... |
| Psub | 3.05e-04 | kPa | 357.12 | Experim... |
| Psub | 3.70e-04 | kPa | 359.15 | Experim... |
| Psub | 3.70e-04 | kPa | 359.15 | Experim... |
| Psub | 3.90e-04 | kPa | 359.15 | Experim... |
| Psub | 4.79e-04 | kPa | 361.15 | Experim... |
| Psub | 4.79e-04 | kPa | 361.15 | Experim... |
| Psub | 4.86e-04 | kPa | 361.15 | Experim... |
| Psub | 5.95e-04 | kPa | 363.12 | Experim... |
| Psub | 6.14e-04 | kPa | 363.12 | Experim... |
| Psub | 6.14e-04 | kPa | 363.12 | Experim... |
| Psub | 7.43e-04 | kPa | 365.15 | Experim... |
| Psub | 7.86e-04 | kPa | 365.15 | Experim... |
| Psub | 7.43e-04 | kPa | 365.15 | Experim... |
| Psub | 9.67e-04 | kPa | 367.15 | Experim... |
| Psub | 9.66e-04 | kPa | 367.15 | Experim... |
| Psub | 9.66e-04 | kPa | 367.15 | Experim... |
| Psub | 1.19e-03 | kPa | 369.12 | Experim... |
| Psub | 1.24e-03 | kPa | 369.12 | Experim... |
| Psub | 1.24e-03 | kPa | 369.12 | Experim... |
Similar Compounds
Find more compounds similar to Monobenzone.
Sources
- 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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