- InChI
- InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
- InChI Key
- KBPUBCVJHFXPOC-UHFFFAOYSA-N
- Formula
- C9H10O4
- SMILES
- CCOC(=O)c1ccc(O)c(O)c1
- Molecular Weight1
- 182.17
- CAS
- 3943-89-3
- Other Names
-
- Ethyl protocatechuate
- Protocatechuic acid ethyl ester
- Benzoic acid, 3,4-dihydroxy-, ethyl ester
- 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).
- 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° | -405.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.09 | kJ/mol | Joback Calculated Property |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 1.274 | Crippen Calculated Property | |
| McVol | 133.090 | ml/mol | McGowan Calculated Property |
| Pc | 5051.40 | kPa | Joback Calculated Property |
| Tboil | 669.53 | K | Joback Calculated Property |
| Tc | 906.17 | K | Joback Calculated Property |
| Tfus | 513.21 | K | Joback Calculated Property |
| Vc | 0.388 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.64; 398.39] | J/mol×K | [669.53; 906.17] | 
|
| Cp,gas | 346.64 | J/mol×K | 669.53 | Joback Calculated Property |
| Cp,gas | 356.36 | J/mol×K | 708.97 | Joback Calculated Property |
| Cp,gas | 365.48 | J/mol×K | 748.41 | Joback Calculated Property |
| Cp,gas | 374.12 | J/mol×K | 787.85 | Joback Calculated Property |
| Cp,gas | 382.41 | J/mol×K | 827.29 | Joback Calculated Property |
| Cp,gas | 390.46 | J/mol×K | 866.73 | Joback Calculated Property |
| Cp,gas | 398.39 | J/mol×K | 906.17 | Joback Calculated Property |
| η | [0.0000027; 0.0000545] | Pa×s | [513.21; 669.53] |
|
| η | 0.0000545 | Pa×s | 513.21 | Joback Calculated Property |
| η | 0.0000293 | Pa×s | 539.26 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 565.32 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 591.37 | Joback Calculated Property |
| η | 0.0000062 | Pa×s | 617.42 | Joback Calculated Property |
| η | 0.0000041 | Pa×s | 643.48 | Joback Calculated Property |
| η | 0.0000027 | Pa×s | 669.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 3,4-dihydroxybenzoate.
Sources
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