- InChI
- InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3
- InChI Key
- XHUBSJRBOQIZNI-UHFFFAOYSA-N
- Formula
- C9H12O3
- SMILES
- COc1cc(CCO)ccc1O
- Molecular Weight1
- 168.19
- CAS
- 2380-78-1
- Other Names
-
- 4-Hydroxy-3-methoxyphenylethyl alcohol
- 4-Hydroxy-3-methoxyphenethyl alcohol
- Benzeneethanol, 4-hydroxy-3-methoxy-
- 2-(4-Guaiacyl)-ethanol
- 2-(4-Hydroxy-3-methoxyphenyl)-ethanol
- Guaiacyl ethanol
- Homovanillin alcohol
- Homovanilline alcohol
- 4-(2-hydroxyethyl)guaiacol
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -268.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.67 | kJ/mol | Joback Calculated Property |
| log10WS | -1.21 | Crippen Calculated Property | |
| logPoct/wat | 0.936 | Crippen Calculated Property | |
| McVol | 131.520 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Inp | [1526.00; 1542.00] |
|
|
| Inp | 1526.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1542.00 | NIST | |
| I | [2786.00; 2830.00] |
|
|
| I | 2830.00 | NIST | |
| I | 2830.00 | NIST | |
| I | 2807.00 | NIST | |
| I | 2786.00 | NIST | |
| I | 2805.00 | NIST | |
| I | 2802.00 | NIST | |
| Tboil | 632.20 | K | Joback Calculated Property |
| Tc | 837.13 | K | Joback Calculated Property |
| Tfus | 424.90 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.25; 388.85] | J/mol×K | [632.20; 837.13] |
|
| Cp,gas | 336.25 | J/mol×K | 632.20 | Joback Calculated Property |
| Cp,gas | 346.25 | J/mol×K | 666.35 | Joback Calculated Property |
| Cp,gas | 355.70 | J/mol×K | 700.51 | Joback Calculated Property |
| Cp,gas | 364.64 | J/mol×K | 734.66 | Joback Calculated Property |
| Cp,gas | 373.11 | J/mol×K | 768.82 | Joback Calculated Property |
| Cp,gas | 381.17 | J/mol×K | 802.97 | Joback Calculated Property |
| Cp,gas | 388.85 | J/mol×K | 837.13 | Joback Calculated Property |
| η | [0.0000089; 0.0006176] | Pa×s | [424.90; 632.20] |
|
| η | 0.0006176 | Pa×s | 424.90 | Joback Calculated Property |
| η | 0.0002336 | Pa×s | 459.45 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 494.00 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 528.55 | Joback Calculated Property |
| η | 0.0000258 | Pa×s | 563.10 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 597.65 | Joback Calculated Property |
| η | 0.0000089 | Pa×s | 632.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Homovanillyl alcohol.
Sources
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