- InChI
- InChI=1S/C9H10O3/c1-9(2)11-7-5-3-4-6(10)8(7)12-9/h3-5,10H,1-2H3
- InChI Key
- CSSWBRMYHJVCPZ-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- CC1(C)Oc2cccc(O)c2O1
- Molecular Weight1
- 166.17
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -143.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -357.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.36 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 1.899 | Crippen Calculated Property | |
| McVol | 120.660 | ml/mol | McGowan Calculated Property |
| Pc | 4691.31 | kPa | Joback Calculated Property |
| Inp | 1277.00 | NIST | |
| Tboil | 578.48 | K | Joback Calculated Property |
| Tc | 824.18 | K | Joback Calculated Property |
| Tfus | 436.83 | K | Joback Calculated Property |
| Vc | 0.395 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.17; 364.34] | J/mol×K | [578.48; 824.18] | 
|
| Cp,gas | 305.17 | J/mol×K | 578.48 | Joback Calculated Property |
| Cp,gas | 316.53 | J/mol×K | 619.43 | Joback Calculated Property |
| Cp,gas | 326.96 | J/mol×K | 660.38 | Joback Calculated Property |
| Cp,gas | 336.70 | J/mol×K | 701.33 | Joback Calculated Property |
| Cp,gas | 346.01 | J/mol×K | 742.28 | Joback Calculated Property |
| Cp,gas | 355.14 | J/mol×K | 783.23 | Joback Calculated Property |
| Cp,gas | 364.34 | J/mol×K | 824.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzodioxol-4-ol, 2,2-dimethyl.
Sources
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