- InChI
- InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)
- InChI Key
- ODVLMCWNGKLROU-UHFFFAOYSA-N
- Formula
- C9H8O4
- SMILES
- O=C(O)Cc1ccc2c(c1)OCO2
- Molecular Weight1
- 180.16
- CAS
- 2861-28-1
- Other Names
-
- 1,3-Benzodioxole-5-acetic acid
- Homopiperonylic acid
- benzo-1,3-dioxole-5-acetic acid
- 1,3-Benzodioxole-5-acetic acid (homopiperonylic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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° | -251.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -451.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.04 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 122.90 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 71.89 | kJ/mol | Joback Calculated Property |
| log10WS | -1.58 | Crippen Calculated Property | |
| logPoct/wat | 1.042 | Crippen Calculated Property | |
| McVol | 122.230 | ml/mol | McGowan Calculated Property |
| Pc | 4559.21 | kPa | Joback Calculated Property |
| Tboil | 653.32 | K | Joback Calculated Property |
| Tc | 868.68 | K | Joback Calculated Property |
| Tfus | 428.72 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.40; 358.65] | J/mol×K | [653.32; 868.68] | 
|
| Cp,gas | 313.40 | J/mol×K | 653.32 | Joback Calculated Property |
| Cp,gas | 322.35 | J/mol×K | 689.21 | Joback Calculated Property |
| Cp,gas | 330.67 | J/mol×K | 725.11 | Joback Calculated Property |
| Cp,gas | 338.41 | J/mol×K | 761.00 | Joback Calculated Property |
| Cp,gas | 345.62 | J/mol×K | 796.89 | Joback Calculated Property |
| Cp,gas | 352.35 | J/mol×K | 832.78 | Joback Calculated Property |
| Cp,gas | 358.65 | J/mol×K | 868.68 | Joback Calculated Property |
| η | [0.0001619; 0.0021756] | Pa×s | [428.72; 653.32] |
|
| η | 0.0021756 | Pa×s | 428.72 | Joback Calculated Property |
| η | 0.0011858 | Pa×s | 466.15 | Joback Calculated Property |
| η | 0.0007073 | Pa×s | 503.59 | Joback Calculated Property |
| η | 0.0004532 | Pa×s | 541.02 | Joback Calculated Property |
| η | 0.0003076 | Pa×s | 578.45 | Joback Calculated Property |
| η | 0.0002188 | Pa×s | 615.89 | Joback Calculated Property |
| η | 0.0001619 | Pa×s | 653.32 | Joback Calculated Property |
| ΔfusH | 24.94 | kJ/mol | 401.70 | NIST |
| ΔsubH | 120.10 ± 0.80 | kJ/mol | 355.00 | NIST |
Similar Compounds
Find more compounds similar to 3,4-Methylenedioxyphenylacetic acid.
Sources
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