- InChI
- InChI=1S/C7H8O2/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
- InChI Key
- NWVVVBRKAWDGAB-UHFFFAOYSA-N
- Formula
- C7H8O2
- SMILES
- COc1ccc(O)cc1
- Molecular Weight1
- 124.14
- CAS
- 150-76-5
- Other Names
-
- 1-Hydroxy-4-methoxybenzene
- 4-Hydroxyanisole
- 4-methoxyphenol
- BMS 181158
- Eastman HQMME
- HQMME
- Hydroquinone methyl ether
- Hydroquinone monomethyl ether
- Hydroxyanisole
- Leucobasal
- Leucodine B
- MEHQ
- MME
- Mechinolum
- Mequinol (INN)
- Monomethyl ether hydroquinone
- NSC 4960
- Novo-dermoquinona
- PMF (antioxidant)
- Phenol, 4-methoxy-
- Phenol, p-methoxy-
- Po-hydroxyanisole
- USAF AN-7
- p-Guaiacol
- p-Hydroxyanisole
- p-Hydroxymethoxybenzene
- p-methoxyphenol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -230.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.90 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 94.40 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 68.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [7.50; 8.00] | eV |
|
| IE | 7.50 | eV | NIST |
| IE | 8.00 ± 0.10 | eV | NIST |
| log10WS | -1.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.401 | Crippen Calculated Property | |
| McVol | 97.470 | ml/mol | McGowan Calculated Property |
| Pc | 4910.80 | kPa | Joback Calculated Property |
| Inp | [1180.00; 1234.70] |
|
|
| Inp | 1210.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Inp | Outlier 1234.70 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1187.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Inp | 1198.00 | NIST | |
| Inp | 1183.00 | NIST | |
| Tboil | [516.00; 516.20] | K |
|
| Tboil | 516.20 | K | NIST |
| Tboil | 516.00 | K | NIST |
| Tc | 715.68 | K | Relay (1.0) Calculated Property |
| Tfus | [326.00; 330.15] | K |
|
| Tfus | 330.15 | K | Liquid pharmaceuticals formulation by eutectic formation |
| Tfus | 329.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 326.00 | K | NIST |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [18.30; 18.30] | kJ/mol | [328.40; 328.40] |
|
| ΔfusH | 18.30 | kJ/mol | 328.40 | NIST |
| ΔfusH | 18.30 | kJ/mol | 328.40 | NIST |
| ΔsubH | 88.70 | kJ/mol | 289.00 | NIST |
| ΔvapH | [61.40; 94.40] | kJ/mol | [298.15; 468.00] |
|
| ΔvapH | 94.40 | kJ/mol | 298.15 | Thermochemical Study of the Methoxy- and Dimethoxyphenol Isomers |
| ΔvapH | 61.40 | kJ/mol | 468.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.01; 302.86] | 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 | -2.08000e+01 | |||
| Coefficient B | 6.81320e-01 | |||
| Coefficient C | -5.33560e-04 | |||
| Coefficient D | 1.75900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 129.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 161.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 188.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 233.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 250.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 265.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 279.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 291.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 302.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033219; 0.0000723] | Pa×s | [328.43; 501.88] |
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 | -1.67836e+01 | |||
| Coefficient B | 3.63785e+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. | 328.43 | |||
| Temperature range, max. | 501.88 | |||
| η | 0.0033219 | Pa×s | 328.43 | Calculated Property |
| η | 0.0017979 | Pa×s | 347.71 | Calculated Property |
| η | 0.0010379 | Pa×s | 366.98 | Calculated Property |
| η | 0.0006329 | Pa×s | 386.25 | Calculated Property |
| η | 0.0004045 | Pa×s | 405.52 | Calculated Property |
| η | 0.0002693 | Pa×s | 424.79 | Calculated Property |
| η | 0.0001857 | Pa×s | 444.07 | Calculated Property |
| η | 0.0001321 | Pa×s | 463.34 | Calculated Property |
| η | 0.0000965 | Pa×s | 482.61 | Calculated Property |
| η | 0.0000723 | Pa×s | 501.88 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [393.55; 478.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.36648e+01 | |||
| Coefficient B | -7.25022e+03 | |||
| Coefficient C | -8.34070e+01 | |||
| Temperature range, min. | 393.55 | |||
| Temperature range, max. | 478.44 | |||
| Pvap | 1.33 | kPa | 393.55 | Calculated Property |
| Pvap | 2.66 | kPa | 402.98 | Calculated Property |
| Pvap | 5.09 | kPa | 412.41 | Calculated Property |
| Pvap | 9.42 | kPa | 421.85 | Calculated Property |
| Pvap | 16.83 | kPa | 431.28 | Calculated Property |
| Pvap | 29.18 | kPa | 440.71 | Calculated Property |
| Pvap | 49.17 | kPa | 450.14 | Calculated Property |
| Pvap | 80.72 | kPa | 459.58 | Calculated Property |
| Pvap | 129.34 | kPa | 469.01 | Calculated Property |
| Pvap | 202.63 | kPa | 478.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Mequinol.
Mixtures
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
- Liquid pharmaceuticals formulation by eutectic formation
- Relationships between fusion, solution, vaporization and sublimation enthalpies of substituted phenols
- Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
- Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
- Analysis of solute-pyridine intermolecular interactions based on experimental enthalpies of solution and enthalpies of solvation of solutes dissolved in pyridine
- Liquid-Liquid Equilibrium Measurements for Model Systems Related to Catalytic Fast Pyrolysis of Biomass
- Thermochemical Study of the Methoxy- and Dimethoxyphenol Isomers
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.