- InChI
- InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
- InChI Key
- MBIZFBDREVRUHY-UHFFFAOYSA-N
- Formula
- C9H10O4
- SMILES
- COc1cccc(OC)c1C(=O)O
- Molecular Weight1
- 182.17
- CAS
- 1466-76-8
- Other Names
-
- 2,6-Dimethoxybenzoic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4276.90 ± 0.80 | kJ/mol | NIST |
| ΔfG° | -357.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.75 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -693.80 ± 1.40 | kJ/mol | NIST |
| ΔfusH° | 20.39 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [121.70; 121.70] | kJ/mol |
|
| ΔsubH° | 121.70 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 121.70 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 67.47 | kJ/mol | Joback Calculated Property |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.402 | Crippen Calculated Property | |
| McVol | 133.090 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Inp | 1460.00 | NIST | |
| Tboil | 632.85 | K | Joback Calculated Property |
| Tc | 834.15 | K | Joback Calculated Property |
| Tfus | 397.86 | K | Joback Calculated Property |
| Vc | 0.492 | m3/kmol | Joback Calculated Property |
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 | 593.68 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 632.85 | Joback Calculated Property |
| ΔsubH | 118.40 ± 0.40 | kJ/mol | 356.50 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,6-dimethoxy-.
Sources
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