- InChI
- InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
- InChI Key
- DAUAQNGYDSHRET-UHFFFAOYSA-N
- Formula
- C9H10O4
- SMILES
- COc1ccc(C(=O)O)cc1OC
- Molecular Weight1
- 182.18
- Other Names
-
- 3,4-Dimethylprotocatechuic acid
- 3,4-dimethoxybenzoic acid
- Dimethylprotocatechuic acid
- NSC 7721
- Veratrumenoic acid
- Veratrylic acid
- veratric acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -4256.30 ± 0.70 | kJ/mol | NIST |
| ΔfH°gas | -593.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -714.00 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 20.39 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [129.80; 129.80] | kJ/mol |
|
| ΔsubH° | 129.80 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 129.80 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 100.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.402 | Crippen Calculated Property | |
| McVol | 133.090 | ml/mol | McGowan Calculated Property |
| Inp | [1670.00; 1688.00] |
|
|
| Inp | 1670.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Tboil | 574.71 | K | Relay (1.0) Calculated Property |
| Tc | 792.97 | K | Relay (1.0) Calculated Property |
| Tfus | 453.12 | K | Solubility of Veratric Acid in Eight Monosolvents and Ethanol + 1-Butanol at Various Temperatures |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.57; 376.13] | J/mol×K | [632.85; 834.15] |
|
| Cp,gas | 324.57 | J/mol×K | 632.85 | Joback Calculated Property |
| Cp,gas | 334.47 | J/mol×K | 666.40 | Joback Calculated Property |
| Cp,gas | 343.86 | J/mol×K | 699.95 | Joback Calculated Property |
| Cp,gas | 352.73 | J/mol×K | 733.50 | Joback Calculated Property |
| Cp,gas | 361.07 | J/mol×K | 767.05 | Joback Calculated Property |
| Cp,gas | 368.87 | J/mol×K | 800.60 | Joback Calculated Property |
| Cp,gas | 376.13 | J/mol×K | 834.15 | Joback Calculated Property |
| η | [0.0000571; 0.0012398] | Pa×s | [397.86; 632.85] |
|
| η | 0.0012398 | Pa×s | 397.86 | Joback Calculated Property |
| η | 0.0005897 | Pa×s | 437.03 | Joback Calculated Property |
| η | 0.0003170 | Pa×s | 476.19 | Joback Calculated Property |
| η | 0.0001872 | Pa×s | 515.36 | Joback Calculated Property |
| η | 0.0001191 | Pa×s | 554.52 | Joback Calculated Property |
| η | 0.0000805 | Pa×s | 593.69 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 632.85 | Joback Calculated Property |
| ΔsubH | 126.10 ± 0.60 | kJ/mol | 368.50 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,4-dimethoxy-.
Mixtures
- Ethanol + Benzoic acid, 3,4-dimethoxy-
- 1-Propanol + Benzoic acid, 3,4-dimethoxy-
- 2-Propanol + Benzoic acid, 3,4-dimethoxy-
- 1-Butanol + Benzoic acid, 3,4-dimethoxy-
- 1-Propanol, 2-methyl- + Benzoic acid, 3,4-dimethoxy-
- Acetic acid, methyl ester + Benzoic acid, 3,4-dimethoxy-
- Ethyl Acetate + Benzoic acid, 3,4-dimethoxy-
- 2-Butanone + Benzoic acid, 3,4-dimethoxy-
- Ethanol + 1-Butanol + Benzoic acid, 3,4-dimethoxy-
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Solubility of Veratric Acid in Eight Monosolvents and Ethanol + 1-Butanol at Various Temperatures
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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