- InChI
- InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
- InChI Key
- ZENOXNGFMSCLLL-UHFFFAOYSA-N
- Formula
- C8H10O3
- SMILES
- COc1cc(CO)ccc1O
- Molecular Weight1
- 154.16
- CAS
- 498-00-0
- Other Names
-
- Benzenemethanol, 4-hydroxy-3-methoxy-
- Vanillic alcohol
- Vanillin alcohol
- Vanillol
- benzyl alcohol, 4-hydroxy-3-methoxy-
- vanillyl alcohol
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.7518 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.893 | Crippen Calculated Property | |
| McVol | 117.430 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Inp | [1423.00; 1423.00] |
|
|
| Inp | 1423.00 | NIST | |
| Inp | 1423.00 | NIST | |
| I | [2764.00; 2787.00] |
|
|
| I | 2787.00 | NIST | |
| I | 2787.00 | NIST | |
| I | 2764.00 | NIST | |
| I | 2787.00 | NIST | |
| Tboil | 546.23 | K | Relay (1.0) Calculated Property |
| Tc | 797.71 | K | Relay (1.0) Calculated Property |
| Tfus | [351.15; 389.00] | K |
|
| Tfus | 389.00 | K | Solubility and thermodynamic properties of vanillyl alcohol in some pure solvents |
| Tfus | 351.15 ± 1.50 | K | NIST |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 4-Hydroxy-3-methoxybenzyl alcohol.
Mixtures
- Ethanol + 4-Hydroxy-3-methoxybenzyl alcohol
- Isopropyl Alcohol + 4-Hydroxy-3-methoxybenzyl alcohol
- 1-Butanol + 4-Hydroxy-3-methoxybenzyl alcohol
- 4-Hydroxy-3-methoxybenzyl alcohol + 1-Pentanol
- 1-Butanol, 3-methyl- + 4-Hydroxy-3-methoxybenzyl alcohol
- Acetonitrile + 4-Hydroxy-3-methoxybenzyl alcohol
- 4-Hydroxy-3-methoxybenzyl alcohol + Ethyl Acetate
- Acetic acid, butyl ester + 4-Hydroxy-3-methoxybenzyl alcohol
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Comprehensive thermophysical and thermochemical studies of vanillyl alcohol
- Solubility and thermodynamic properties of vanillyl alcohol in some pure solvents
- Joback Method
- McGowan Method
- NIST Webbook
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