- InChI
- InChI=1S/C6H12O3/c1-6(2)8-3-5(7)4-9-6/h5,7H,3-4H2,1-2H3
- InChI Key
- CGNOMSJAJQUXAT-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- CC1(C)OCC(O)CO1
- Molecular Weight1
- 132.16
- 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° | -298.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.62 | kJ/mol | Joback Calculated Property |
| log10WS | -0.39 | Crippen Calculated Property | |
| logPoct/wat | 0.130 | Crippen Calculated Property | |
| McVol | 102.150 | ml/mol | McGowan Calculated Property |
| Pc | 4426.72 | kPa | Joback Calculated Property |
| Inp | [993.00; 993.00] |
|
|
| Inp | 993.00 | NIST | |
| Inp | 993.00 | NIST | |
| Tboil | 497.88 | K | Joback Calculated Property |
| Tc | 699.56 | K | Joback Calculated Property |
| Tfus | 298.38 | K | Joback Calculated Property |
| Vc | 0.362 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.23; 310.94] | J/mol×K | [497.88; 699.56] |
|
| Cp,gas | 247.23 | J/mol×K | 497.88 | Joback Calculated Property |
| Cp,gas | 259.49 | J/mol×K | 531.49 | Joback Calculated Property |
| Cp,gas | 270.98 | J/mol×K | 565.11 | Joback Calculated Property |
| Cp,gas | 281.80 | J/mol×K | 598.72 | Joback Calculated Property |
| Cp,gas | 292.02 | J/mol×K | 632.34 | Joback Calculated Property |
| Cp,gas | 301.71 | J/mol×K | 665.95 | Joback Calculated Property |
| Cp,gas | 310.94 | J/mol×K | 699.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2,2-dimethyl-5-hydroxy-.
Sources
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