- InChI
- InChI=1S/C11H14O5/c1-14-8-5-4-7(6-9(8)15-2)10(12)11(13)16-3/h4-6,10,12H,1-3H3
- InChI Key
- GLMSKFAHFLOMQJ-UHFFFAOYSA-N
- Formula
- C11H14O5
- SMILES
- COC(=O)C(O)c1ccc(OC)c(OC)c1
- Molecular Weight1
- 226.23
- CAS
- 2911-73-1
- Other Names
-
- Methyl «alpha»-hydroxy-«alpha»-(3,4-dimethoxyphenyl)acetate
- Methyl (3,4-dimethoxyphenyl)(hydroxy)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° | -448.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -723.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.95 | kJ/mol | Joback Calculated Property |
| log10WS | -1.52 | Crippen Calculated Property | |
| logPoct/wat | 0.910 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | [1686.00; 1700.10] |
|
|
| Inp | 1700.10 | NIST | |
| Inp | 1686.00 | NIST | |
| Tboil | 700.59 | K | Joback Calculated Property |
| Tc | 899.06 | K | Joback Calculated Property |
| Tfus | 427.63 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.69; 506.22] | J/mol×K | [700.59; 899.06] |
|
| Cp,gas | 447.69 | J/mol×K | 700.59 | Joback Calculated Property |
| Cp,gas | 459.16 | J/mol×K | 733.67 | Joback Calculated Property |
| Cp,gas | 469.97 | J/mol×K | 766.75 | Joback Calculated Property |
| Cp,gas | 480.09 | J/mol×K | 799.82 | Joback Calculated Property |
| Cp,gas | 489.52 | J/mol×K | 832.90 | Joback Calculated Property |
| Cp,gas | 498.24 | J/mol×K | 865.98 | Joback Calculated Property |
| Cp,gas | 506.22 | J/mol×K | 899.06 | Joback Calculated Property |
| η | [0.0000281; 0.0007793] | Pa×s | [427.63; 700.59] |
|
| η | 0.0007793 | Pa×s | 427.63 | Joback Calculated Property |
| η | 0.0003432 | Pa×s | 473.12 | Joback Calculated Property |
| η | 0.0001745 | Pa×s | 518.62 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 564.11 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 609.60 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 655.10 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 700.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Mandelic acid, 3,4-dimethoxy-, methyl ester.
Sources
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