- InChI
- InChI=1S/C8H8O3/c1-5-2-7(10)6(4-9)8(11)3-5/h2-4,10-11H,1H3
- InChI Key
- JASONGFGOLHLGB-UHFFFAOYSA-N
- Formula
- C8H8O3
- SMILES
- Cc1cc(O)c(C=O)c(O)c1
- Molecular Weight1
- 152.15
- CAS
- 526-37-4
- Other Names
-
- 2,6-Dihydroxy-4-methylbenzaldehyde
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6943 | Relay (1.0) Calculated Property | |
| ΔfG° | -289.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.219 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 5935.41 | kPa | Joback Calculated Property |
| Inp | [1546.00; 1566.40] |
|
|
| Inp | 1566.40 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Tboil | 552.73 | K | Relay (1.0) Calculated Property |
| Tc | 835.70 | K | Relay (1.0) Calculated Property |
| Tfus | 391.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [278.44; 322.25] | J/mol×K | [624.00; 865.00] |
|
| Cp,gas | 278.44 | J/mol×K | 624.00 | Joback Calculated Property |
| Cp,gas | 286.79 | J/mol×K | 664.17 | Joback Calculated Property |
| Cp,gas | 294.54 | J/mol×K | 704.33 | Joback Calculated Property |
| Cp,gas | 301.83 | J/mol×K | 744.50 | Joback Calculated Property |
| Cp,gas | 308.78 | J/mol×K | 784.67 | Joback Calculated Property |
| Cp,gas | 315.55 | J/mol×K | 824.83 | Joback Calculated Property |
| Cp,gas | 322.25 | J/mol×K | 865.00 | Joback Calculated Property |
| η | [0.0000064; 0.0001164] | Pa×s | [484.30; 624.00] |
|
| η | 0.0001164 | Pa×s | 484.30 | Joback Calculated Property |
| η | 0.0000643 | Pa×s | 507.58 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 530.87 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 554.15 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 577.43 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 600.72 | Joback Calculated Property |
| η | 0.0000064 | Pa×s | 624.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Atranol.
Sources
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