- InChI
- InChI=1S/C11H22O2/c1-4-5-6-7-10-8-9-12-11(2,3)13-10/h10H,4-9H2,1-3H3/t10-/m0/s1
- InChI Key
- ADNZCWQGZVIHRC-JTQLQIEISA-N
- Formula
- C11H22O2
- SMILES
- CCCCCC1CCOC(C)(C)O1
- Molecular Weight1
- 186.29
- 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).
- I : 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° | -119.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.07 | kJ/mol | Joback Calculated Property |
| log10WS | -3.22 | Crippen Calculated Property | |
| logPoct/wat | 3.108 | Crippen Calculated Property | |
| McVol | 166.730 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| I | [1429.00; 1429.00] |
|
|
| I | 1429.00 | NIST | |
| I | 1429.00 | NIST | |
| Tboil | 520.10 | K | Joback Calculated Property |
| Tc | 720.79 | K | Joback Calculated Property |
| Tfus | 293.91 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.60; 517.71] | J/mol×K | [520.10; 720.79] |
|
| Cp,gas | 416.60 | J/mol×K | 520.10 | Joback Calculated Property |
| Cp,gas | 435.80 | J/mol×K | 553.55 | Joback Calculated Property |
| Cp,gas | 453.95 | J/mol×K | 587.00 | Joback Calculated Property |
| Cp,gas | 471.13 | J/mol×K | 620.44 | Joback Calculated Property |
| Cp,gas | 487.42 | J/mol×K | 653.89 | Joback Calculated Property |
| Cp,gas | 502.92 | J/mol×K | 687.34 | Joback Calculated Property |
| Cp,gas | 517.71 | J/mol×K | 720.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2,2-dimethyl-4-pentyl, 4R.
Sources
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