- InChI
- InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
- InChI Key
- IBGBGRVKPALMCQ-UHFFFAOYSA-N
- Formula
- C7H6O3
- SMILES
- O=Cc1ccc(O)c(O)c1
- Molecular Weight1
- 138.12
- CAS
- 139-85-5
- Other Names
-
- 1,2-Dihydroxy-4-formylbenzene
- 3,4-Dihydroxybenzenecarbonal
- 3,4-dihydroxybenzaldehyde
- 4-Formyl-1,2-benzenediol
- 4-Formyl-1,2-dihydroxybenzene
- NC 033
- NSC 22961
- Protocatechualdehyde
- Protocatechuic aldehyde
- Rancinamycin IV
- protocatechoic aldehyde
- 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° | -288.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -391.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.20 | kJ/mol | Joback Calculated Property |
| log10WS | -0.81 | Crippen Calculated Property | |
| logPoct/wat | 0.910 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 7097.39 | kPa | Joback Calculated Property |
| Tboil | 596.14 | K | Joback Calculated Property |
| Tc | 841.41 | K | Joback Calculated Property |
| Tfus | 460.51 | K | Joback Calculated Property |
| Vc | 0.269 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.91; 273.83] | J/mol×K | [596.14; 841.41] | 
|
| Cp,gas | 235.91 | J/mol×K | 596.14 | Joback Calculated Property |
| Cp,gas | 243.43 | J/mol×K | 637.02 | Joback Calculated Property |
| Cp,gas | 250.27 | J/mol×K | 677.90 | Joback Calculated Property |
| Cp,gas | 256.59 | J/mol×K | 718.78 | Joback Calculated Property |
| Cp,gas | 262.52 | J/mol×K | 759.65 | Joback Calculated Property |
| Cp,gas | 268.22 | J/mol×K | 800.53 | Joback Calculated Property |
| Cp,gas | 273.83 | J/mol×K | 841.41 | Joback Calculated Property |
| η | [0.0000096; 0.0002085] | Pa×s | [460.51; 596.14] |
|
| η | 0.0002085 | Pa×s | 460.51 | Joback Calculated Property |
| η | 0.0001108 | Pa×s | 483.12 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 505.72 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 528.33 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 550.93 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 573.53 | Joback Calculated Property |
| η | 0.0000096 | Pa×s | 596.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 3,4-dihydroxy-.
Mixtures
- sodium chloride + Benzaldehyde, 3,4-dihydroxy- + Water
- Benzaldehyde, 3,4-dihydroxy- + Water
- Ethanol + Benzaldehyde, 3,4-dihydroxy- + Water
Sources
- Crippen Method
- Crippen Method
- Thermodynamic Difference between Protocatechualdehyde and p-Hydroxybenzaldehyde in Aqueous Sodium Chloride Solutions
- Solubilities of Protocatechuic Aldehyde, Caffeic Acid, d-Galactose, and d-Raffinose Pentahydrate in Ethanol Water Solutions
- Joback Method
- McGowan Method
- NIST Webbook
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