- InChI
- InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
- InChI Key
- CFFZDZCDUFSOFZ-UHFFFAOYSA-N
- Formula
- C8H8O4
- SMILES
- O=C(O)Cc1ccc(O)c(O)c1
- Molecular Weight1
- 168.15
- CAS
- 102-32-9
- Other Names
-
- Acetic acid, (3,4-dihydroxyphenyl)-
- (3,4-Dihydroxyphenyl)acetic acid
- Ba 2773
- Dihydroxyphenylacetic acid
- Dopacetic acid
- DOPAC
- Homoprotocatechuic Acid
- 3,4-Dihydroxybenzeneacetic 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).
- 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° | -446.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.13 | kJ/mol | Joback Calculated Property |
| log10WS | -0.47 | Crippen Calculated Property | |
| logPoct/wat | 0.725 | Crippen Calculated Property | |
| McVol | 119.000 | ml/mol | McGowan Calculated Property |
| Pc | 6921.35 | kPa | Joback Calculated Property |
| Tboil | 716.41 | K | Joback Calculated Property |
| Tc | 941.27 | K | Joback Calculated Property |
| Tfus | 540.53 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.11; 355.07] | J/mol×K | [716.41; 941.27] | 
|
| Cp,gas | 315.11 | J/mol×K | 716.41 | Joback Calculated Property |
| Cp,gas | 322.18 | J/mol×K | 753.89 | Joback Calculated Property |
| Cp,gas | 328.93 | J/mol×K | 791.36 | Joback Calculated Property |
| Cp,gas | 335.48 | J/mol×K | 828.84 | Joback Calculated Property |
| Cp,gas | 341.94 | J/mol×K | 866.32 | Joback Calculated Property |
| Cp,gas | 348.43 | J/mol×K | 903.79 | Joback Calculated Property |
| Cp,gas | 355.07 | J/mol×K | 941.27 | Joback Calculated Property |
| η | [0.0000006; 0.0000222] | Pa×s | [540.53; 716.41] |
|
| η | 0.0000222 | Pa×s | 540.53 | Joback Calculated Property |
| η | 0.0000103 | Pa×s | 569.84 | Joback Calculated Property |
| η | 0.0000051 | Pa×s | 599.16 | Joback Calculated Property |
| η | 0.0000027 | Pa×s | 628.47 | Joback Calculated Property |
| η | 0.0000015 | Pa×s | 657.78 | Joback Calculated Property |
| η | 0.0000009 | Pa×s | 687.10 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 716.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, 3,4-dihydroxy-.
Sources
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