- InChI
- InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H
- InChI Key
- BTQAJGSMXCDDAJ-UHFFFAOYSA-N
- Formula
- C7H6O4
- SMILES
- O=Cc1c(O)cc(O)cc1O
- Molecular Weight1
- 154.12
- CAS
- 487-70-7
- Other Names
-
- Phloroglucinol aldehyde
- Phloroglucinaldehyde
- Benzaldehyde, 2,4,6-trihydroxy-
- Formylphloroglucinol
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7914 | Relay (... Calculated Property | |
| ΔfG° | -442.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.71 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -2.08 | Relay (... Calculated Property | |
| logPoct/wat | 0.616 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Pc | 9281.22 | kPa | Joback Calculated Property |
| Tboil | 565.32 | K | Relay (... Calculated Property |
| Tc | 902.63 | K | Relay (... Calculated Property |
| Tfus | 490.77 | K | Relay (... Calculated Property |
| Vc | 0.349 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.64; 306.67] | J/mol×K | [676.76; 930.38] | 
|
| Cp,gas | 269.64 | J/mol×K | 676.76 | Joback Calculated Property |
| Cp,gas | 275.80 | J/mol×K | 719.03 | Joback Calculated Property |
| Cp,gas | 281.67 | J/mol×K | 761.30 | Joback Calculated Property |
| Cp,gas | 287.47 | J/mol×K | 803.57 | Joback Calculated Property |
| Cp,gas | 293.42 | J/mol×K | 845.84 | Joback Calculated Property |
| Cp,gas | 299.74 | J/mol×K | 888.11 | Joback Calculated Property |
| Cp,gas | 306.67 | J/mol×K | 930.38 | Joback Calculated Property |
| η | [0.0000004; 0.0000045] | Pa×s | [572.23; 676.76] |
|
| η | 0.0000045 | Pa×s | 572.23 | Joback Calculated Property |
| η | 0.0000029 | Pa×s | 589.65 | Joback Calculated Property |
| η | 0.0000019 | Pa×s | 607.07 | Joback Calculated Property |
| η | 0.0000013 | Pa×s | 624.50 | Joback Calculated Property |
| η | 0.0000009 | Pa×s | 641.92 | Joback Calculated Property |
| η | 0.0000006 | Pa×s | 659.34 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 676.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trihydroxybenzaldehyde.
Sources
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