- InChI
- InChI=1S/C9H10O4/c1-13-9(12)8(11)6-3-2-4-7(10)5-6/h2-5,8,10-11H,1H3
- InChI Key
- RVYFNXLEGMCKGN-UHFFFAOYSA-N
- Formula
- C9H10O4
- SMILES
- COC(=O)C(O)c1cccc(O)c1
- Molecular Weight1
- 182.17
- Other Names
-
- Methyl hydroxy(4-hydroxyphenyl)acetate
- 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° | -390.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.37 | kJ/mol | Joback Calculated Property |
| log10WS | -0.83 | Crippen Calculated Property | |
| logPoct/wat | 0.599 | Crippen Calculated Property | |
| McVol | 133.090 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Inp | [1615.30; 1615.30] |
|
|
| Inp | 1615.30 | NIST | |
| Inp | 1615.30 | NIST | |
| Tboil | 680.65 | K | Joback Calculated Property |
| Tc | 895.23 | K | Joback Calculated Property |
| Tfus | 447.31 | K | Joback Calculated Property |
| Vc | 0.434 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.07; 395.75] | J/mol×K | [680.65; 895.23] |
|
| Cp,gas | 348.07 | J/mol×K | 680.65 | Joback Calculated Property |
| Cp,gas | 357.29 | J/mol×K | 716.41 | Joback Calculated Property |
| Cp,gas | 365.92 | J/mol×K | 752.18 | Joback Calculated Property |
| Cp,gas | 374.03 | J/mol×K | 787.94 | Joback Calculated Property |
| Cp,gas | 381.67 | J/mol×K | 823.71 | Joback Calculated Property |
| Cp,gas | 388.89 | J/mol×K | 859.47 | Joback Calculated Property |
| Cp,gas | 395.75 | J/mol×K | 895.23 | Joback Calculated Property |
| η | [0.0000058; 0.0005070] | Pa×s | [447.31; 680.65] |
|
| η | 0.0005070 | Pa×s | 447.31 | Joback Calculated Property |
| η | 0.0001787 | Pa×s | 486.20 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 525.09 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 563.98 | Joback Calculated Property |
| η | 0.0000176 | Pa×s | 602.87 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 641.76 | Joback Calculated Property |
| η | 0.0000058 | Pa×s | 680.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxymandelic acid, methyl ester.
Sources
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