- InChI
- InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
- InChI Key
- YXUIOVUOFQKWDM-UHFFFAOYSA-N
- Formula
- C10H12O4
- SMILES
- COC(=O)c1cc(OC)cc(OC)c1
- Molecular Weight1
- 196.20
- CAS
- 2150-37-0
- Other Names
-
- Methyl 3,5-dimethoxybenzoate
- 3,5-Dimethoxybenzoic acid methyl ester
- 3,5-Dihydroxybenzoic acid, dimethyl ether, methyl ester
- 3,5-Dimethoxy methyl ester benzoic 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).
- Tboilr : Boiling point at reduced pressure (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° | -317.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.43 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.490 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Inp | [1510.00; 1591.10] |
|
|
| Inp | 1541.00 | NIST | |
| Inp | 1510.00 | NIST | |
| Inp | 1591.10 | NIST | |
| Tboil | 571.20 | K | NIST |
| Tc | 796.18 | K | Joback Calculated Property |
| Tfus | 370.54 | K | Joback Calculated Property |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.19; 413.99] | J/mol×K | [585.97; 796.18] |
|
| Cp,gas | 347.19 | J/mol×K | 585.97 | Joback Calculated Property |
| Cp,gas | 359.83 | J/mol×K | 621.00 | Joback Calculated Property |
| Cp,gas | 371.90 | J/mol×K | 656.04 | Joback Calculated Property |
| Cp,gas | 383.37 | J/mol×K | 691.07 | Joback Calculated Property |
| Cp,gas | 394.23 | J/mol×K | 726.11 | Joback Calculated Property |
| Cp,gas | 404.44 | J/mol×K | 761.14 | Joback Calculated Property |
| Cp,gas | 413.99 | J/mol×K | 796.18 | Joback Calculated Property |
| η | [0.0001372; 0.0008149] | Pa×s | [370.54; 585.97] |
|
| η | 0.0008149 | Pa×s | 370.54 | Joback Calculated Property |
| η | 0.0005311 | Pa×s | 406.45 | Joback Calculated Property |
| η | 0.0003711 | Pa×s | 442.35 | Joback Calculated Property |
| η | 0.0002736 | Pa×s | 478.25 | Joback Calculated Property |
| η | 0.0002105 | Pa×s | 514.16 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 550.07 | Joback Calculated Property |
| η | 0.0001372 | Pa×s | 585.97 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 430.20 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,5-dimethoxy-, methyl ester.
Sources
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