- InChI
- InChI=1S/C10H12O4/c1-13-9-5-7(3-4-8(9)11)6-10(12)14-2/h3-5,11H,6H2,1-2H3
- InChI Key
- JJJSFAGPWHEUBT-UHFFFAOYSA-N
- Formula
- C10H12O4
- SMILES
- COC(=O)Cc1ccc(O)c(OC)c1
- Molecular Weight1
- 196.20
- CAS
- 15964-80-4
- Other Names
-
- Acetic acid, (4-hydroxy-3-methoxyphenyl)-, methyl ester
- Homovanillic acid methyl ester
- Methyl 3-methoxy-4-hydroxyphenylacetate
- Methyl homovanillate
- methyl 4-hydroxy-3-methoxyphenylacetate
- 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).
- 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° | -357.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.37 | kJ/mol | Joback Calculated Property |
| log10WS | -1.22 | Crippen Calculated Property | |
| logPoct/wat | 1.116 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Tboil | 639.19 | K | Joback Calculated Property |
| Tc | 860.68 | K | Joback Calculated Property |
| Tfus | 447.51 | K | Joback Calculated Property |
| Vc | 0.495 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.77; 433.57] | J/mol×K | [639.19; 860.68] | 
|
| Cp,gas | 372.77 | J/mol×K | 639.19 | Joback Calculated Property |
| Cp,gas | 384.49 | J/mol×K | 676.10 | Joback Calculated Property |
| Cp,gas | 395.53 | J/mol×K | 713.02 | Joback Calculated Property |
| Cp,gas | 405.91 | J/mol×K | 749.93 | Joback Calculated Property |
| Cp,gas | 415.69 | J/mol×K | 786.85 | Joback Calculated Property |
| Cp,gas | 424.90 | J/mol×K | 823.76 | Joback Calculated Property |
| Cp,gas | 433.57 | J/mol×K | 860.68 | Joback Calculated Property |
| η | [0.0000217; 0.0003718] | Pa×s | [447.51; 639.19] |
|
| η | 0.0003718 | Pa×s | 447.51 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 479.46 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 511.40 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 543.35 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 575.30 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 607.24 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 639.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 4-hydroxy-3-methoxy-, methyl ester.
Sources
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