- InChI
- InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3
- InChI Key
- ASHGTJPOSUFTGB-UHFFFAOYSA-N
- Formula
- C7H8O2
- SMILES
- COc1cccc(O)c1
- Molecular Weight1
- 124.14
- CAS
- 150-19-6
- Other Names
-
- 1-Hydroxy-3-methoxybenzene
- 3-Hydroxyanisole
- 3-methoxyphenol
- NSC 21735
- Phenol, m-methoxy-
- Resorcinol methyl ether
- Resorcinol monomethyl ether
- m-Hydroxyanisol
- m-Hydroxyanisole
- m-methoxyphenol
- phenol, 3-methoxy-
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- 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 | 0.5403 | Relay (1.0) Calculated Property | |
| ΔfG° | -139.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.90 ± 1.20 | kJ/mol | NIST |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.07 | 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 | [1211.00; 1234.80] |
|
|
| Inp | 1211.00 | NIST | |
| Inp | 1234.80 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Inp | 1234.80 | NIST | |
| Ip | [2086.00; 2086.00] |
|
|
| Ip | 2086.00 | NIST | |
| Ip | 2086.00 | NIST | |
| Tboil | 517.00 | K | NIST |
| Tc | 717.88 | K | Relay (1.0) Calculated Property |
| Tfus | 255.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.332 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [64.80; 75.90] | kJ/mol | [298.15; 465.50] |
|
| ΔvapH | 75.90 | kJ/mol | 298.15 | Thermochemical Study of the Methoxy- and Dimethoxyphenol Isomers |
| ΔvapH | 64.80 | kJ/mol | 465.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 387.20 | K | 0.70 | 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 | [0.0799858; 0.0000723] | Pa×s | [255.15; 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. | 255.15 | |||
| Temperature range, max. | 501.88 | |||
| η | 0.0799858 | Pa×s | 255.15 | Calculated Property |
| η | 0.0200567 | Pa×s | 282.56 | Calculated Property |
| η | 0.0064234 | Pa×s | 309.98 | Calculated Property |
| η | 0.0024753 | Pa×s | 337.39 | Calculated Property |
| η | 0.0011009 | Pa×s | 364.81 | Calculated Property |
| η | 0.0005483 | Pa×s | 392.22 | Calculated Property |
| η | 0.0002992 | Pa×s | 419.64 | Calculated Property |
| η | 0.0001758 | Pa×s | 447.05 | Calculated Property |
| η | 0.0001099 | Pa×s | 474.47 | Calculated Property |
| η | 0.0000723 | Pa×s | 501.88 | Calculated Property |
Similar Compounds
Find more compounds similar to m-Guaiacol.
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
- Relationships between fusion, solution, vaporization and sublimation enthalpies of substituted phenols
- The fusion thermochemistry of self-associated aromatic compounds at 298.15 K studied by solution calorimetry
- 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
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