- InChI
- InChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3
- InChI Key
- QCHGUEIECOASJU-UHFFFAOYSA-N
- Formula
- C9H8O4
- SMILES
- COC(=O)c1ccc2c(c1)OCO2
- Molecular Weight1
- 180.16
- CAS
- 326-56-7
- Other Names
-
- Methyl piperonylate
- Methyl 3,4-methylenedioxybenzoate
- Piperonylic acid, methyl ester
- methyl 1,3-benzodioxole-5-carboxylate
- Methyl piperonate
- 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° | -219.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.63 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.202 | Crippen Calculated Property | |
| McVol | 122.230 | ml/mol | McGowan Calculated Property |
| Pc | 3955.54 | kPa | Joback Calculated Property |
| Inp | [1932.00; 1932.00] |
|
|
| Inp | 1932.00 | NIST | |
| Inp | 1932.00 | NIST | |
| Tboil | 583.56 | K | Joback Calculated Property |
| Tc | 814.31 | K | Joback Calculated Property |
| Tfus | 390.13 | K | Joback Calculated Property |
| Vc | 0.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.82; 348.90] | J/mol×K | [583.56; 814.31] |
|
| Cp,gas | 292.82 | J/mol×K | 583.56 | Joback Calculated Property |
| Cp,gas | 303.96 | J/mol×K | 622.02 | Joback Calculated Property |
| Cp,gas | 314.33 | J/mol×K | 660.48 | Joback Calculated Property |
| Cp,gas | 323.97 | J/mol×K | 698.93 | Joback Calculated Property |
| Cp,gas | 332.92 | J/mol×K | 737.39 | Joback Calculated Property |
| Cp,gas | 341.21 | J/mol×K | 775.85 | Joback Calculated Property |
| Cp,gas | 348.90 | J/mol×K | 814.31 | Joback Calculated Property |
| η | [0.0004428; 0.0017880] | Pa×s | [390.13; 583.56] |
|
| η | 0.0017880 | Pa×s | 390.13 | Joback Calculated Property |
| η | 0.0012966 | Pa×s | 422.37 | Joback Calculated Property |
| η | 0.0009841 | Pa×s | 454.61 | Joback Calculated Property |
| η | 0.0007747 | Pa×s | 486.84 | Joback Calculated Property |
| η | 0.0006282 | Pa×s | 519.08 | Joback Calculated Property |
| η | 0.0005221 | Pa×s | 551.32 | Joback Calculated Property |
| η | 0.0004428 | Pa×s | 583.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzodioxole-5-carboxylic acid, methyl ester.
Sources
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