- InChI
- InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
- InChI Key
- QRMZSPFSDQBLIX-UHFFFAOYSA-N
- Formula
- C9H10O4
- SMILES
- COc1cc(CC(=O)O)ccc1O
- Molecular Weight1
- 182.17
- CAS
- 306-08-1
- Other Names
-
- Benzeneacetic acid, 4-hydroxy-3-methoxy-
- Acetic acid, (4-hydroxy-3-methoxyphenyl)-
- (4-Hydroxy-3-methoxyphenyl)acetic acid
- HMPA
- HVA
- Vanillacetic Acid
- 3-Methoxy-4-hydroxyphenylacetic acid
- 4-Hydroxy-3-methoxybenzeneacetic acid
- Homovanillinic acid
- Homovanilic acid
- Vanilacetic acid
- NSC 16682
- 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° | -397.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.04 | Crippen Calculated Property | |
| logPoct/wat | 1.028 | Crippen Calculated Property | |
| McVol | 133.090 | ml/mol | McGowan Calculated Property |
| Pc | 4571.55 | kPa | Joback Calculated Property |
| Inp | [1633.00; 1685.00] |
|
|
| Inp | 1633.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1633.00 | NIST | |
| I | [3099.00; 3099.00] |
|
|
| I | 3099.00 | NIST | |
| I | 3099.00 | NIST | |
| I | 3099.00 | NIST | |
| Tboil | 686.07 | K | Joback Calculated Property |
| Tc | 897.62 | K | Joback Calculated Property |
| Tfus | 474.83 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.80; 392.42] | J/mol×K | [686.07; 897.62] |
|
| Cp,gas | 345.80 | J/mol×K | 686.07 | Joback Calculated Property |
| Cp,gas | 354.70 | J/mol×K | 721.33 | Joback Calculated Property |
| Cp,gas | 363.09 | J/mol×K | 756.59 | Joback Calculated Property |
| Cp,gas | 371.01 | J/mol×K | 791.85 | Joback Calculated Property |
| Cp,gas | 378.51 | J/mol×K | 827.10 | Joback Calculated Property |
| Cp,gas | 385.63 | J/mol×K | 862.36 | Joback Calculated Property |
| Cp,gas | 392.42 | J/mol×K | 897.62 | Joback Calculated Property |
| η | [0.0000060; 0.0002480] | Pa×s | [474.83; 686.07] |
|
| η | 0.0002480 | Pa×s | 474.83 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 510.04 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 545.24 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 580.45 | Joback Calculated Property |
| η | 0.0000156 | Pa×s | 615.66 | Joback Calculated Property |
| η | 0.0000094 | Pa×s | 650.86 | Joback Calculated Property |
| η | 0.0000060 | Pa×s | 686.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Homovanillic acid.
Sources
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