- InChI
- InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H/i1D,2D,3D,4D,5D
- InChI Key
- SMQUZDBALVYZAC-RALIUCGRSA-N
- Formula
- C7HD5O2
- SMILES
- O=Cc1ccccc1O
- Molecular Weight1
- 127.15
- 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° | -133.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.19 | kJ/mol | Joback Calculated Property |
| log10WS | -1.26 | Crippen Calculated Property | |
| logPoct/wat | 1.205 | Crippen Calculated Property | |
| McVol | 93.170 | ml/mol | McGowan Calculated Property |
| Pc | 5602.57 | kPa | Joback Calculated Property |
| Tboil | 515.52 | K | Joback Calculated Property |
| Tc | 749.54 | K | Joback Calculated Property |
| Tfus | 348.79 | K | Joback Calculated Property |
| Vc | 0.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.64; 242.09] | J/mol×K | [515.52; 749.54] | 
|
| Cp,gas | 197.64 | J/mol×K | 515.52 | Joback Calculated Property |
| Cp,gas | 206.73 | J/mol×K | 554.52 | Joback Calculated Property |
| Cp,gas | 215.05 | J/mol×K | 593.53 | Joback Calculated Property |
| Cp,gas | 222.66 | J/mol×K | 632.53 | Joback Calculated Property |
| Cp,gas | 229.65 | J/mol×K | 671.53 | Joback Calculated Property |
| Cp,gas | 236.10 | J/mol×K | 710.54 | Joback Calculated Property |
| Cp,gas | 242.09 | J/mol×K | 749.54 | Joback Calculated Property |
| η | [0.0000996; 0.0031017] | Pa×s | [348.79; 515.52] |
|
| η | 0.0031017 | Pa×s | 348.79 | Joback Calculated Property |
| η | 0.0014153 | Pa×s | 376.58 | Joback Calculated Property |
| η | 0.0007194 | Pa×s | 404.37 | Joback Calculated Property |
| η | 0.0003989 | Pa×s | 432.15 | Joback Calculated Property |
| η | 0.0002375 | Pa×s | 459.94 | Joback Calculated Property |
| η | 0.0001500 | Pa×s | 487.73 | Joback Calculated Property |
| η | 0.0000996 | Pa×s | 515.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Salicyl-3,4,5,6-d4-aldehyde-d.
Sources
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