- InChI
- InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- InChI Key
- LEGPZHPSIPPYIO-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- COc1cccc(CC(=O)O)c1
- Molecular Weight1
- 166.17
- CAS
- 1798-09-0
- Other Names
-
- Acetic acid, (m-methoxyphenyl)-
- (m-Methoxyphenyl)acetic acid
- (3-Methoxyphenyl)acetic acid
- 3-Methoxybenzeneacetic acid
- 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.
- 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° | -243.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.40 | kJ/mol | Joback Calculated Property |
| log10WS | -1.49 | Crippen Calculated Property | |
| logPoct/wat | 1.322 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Inp | 1473.00 | NIST | |
| Tboil | 605.45 | K | Joback Calculated Property |
| Tc | 807.67 | K | Joback Calculated Property |
| Tfus | 363.11 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.01; 355.59] | J/mol×K | [605.45; 807.67] | 
|
| Cp,gas | 303.01 | J/mol×K | 605.45 | Joback Calculated Property |
| Cp,gas | 313.16 | J/mol×K | 639.15 | Joback Calculated Property |
| Cp,gas | 322.74 | J/mol×K | 672.86 | Joback Calculated Property |
| Cp,gas | 331.76 | J/mol×K | 706.56 | Joback Calculated Property |
| Cp,gas | 340.24 | J/mol×K | 740.27 | Joback Calculated Property |
| Cp,gas | 348.17 | J/mol×K | 773.97 | Joback Calculated Property |
| Cp,gas | 355.59 | J/mol×K | 807.67 | Joback Calculated Property |
| η | [0.0000785; 0.0027550] | Pa×s | [363.11; 605.45] |
|
| η | 0.0027550 | Pa×s | 363.11 | Joback Calculated Property |
| η | 0.0011315 | Pa×s | 403.50 | Joback Calculated Property |
| η | 0.0005464 | Pa×s | 443.89 | Joback Calculated Property |
| η | 0.0002980 | Pa×s | 484.28 | Joback Calculated Property |
| η | 0.0001784 | Pa×s | 524.67 | Joback Calculated Property |
| η | 0.0001149 | Pa×s | 565.06 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 605.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 3-methoxy-.
Sources
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