- InChI
- InChI=1S/C12H22O2/c1-3-5-6-8-11-9-10-13-12(14-11)7-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3/b6-5+/t11-,12-/m0/s1
- InChI Key
- HUMNXQDSONGUJF-WTIVYXKASA-N
- Formula
- C12H22O2
- SMILES
- CCC=CCC1CCOC(CCC)O1
- Molecular Weight1
- 198.30
- 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).
- 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° | -25.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 3.274 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| I | [1708.00; 1708.00] |
|
|
| I | 1708.00 | NIST | |
| I | 1708.00 | NIST | |
| Tboil | 546.90 | K | Joback Calculated Property |
| Tc | 745.76 | K | Joback Calculated Property |
| Tfus | 276.20 | K | Joback Calculated Property |
| Vc | 0.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.13; 551.65] | J/mol×K | [546.90; 745.76] |
|
| Cp,gas | 449.13 | J/mol×K | 546.90 | Joback Calculated Property |
| Cp,gas | 468.65 | J/mol×K | 580.04 | Joback Calculated Property |
| Cp,gas | 487.15 | J/mol×K | 613.19 | Joback Calculated Property |
| Cp,gas | 504.67 | J/mol×K | 646.33 | Joback Calculated Property |
| Cp,gas | 521.24 | J/mol×K | 679.48 | Joback Calculated Property |
| Cp,gas | 536.89 | J/mol×K | 712.62 | Joback Calculated Property |
| Cp,gas | 551.65 | J/mol×K | 745.76 | Joback Calculated Property |
| η | [0.0002169; 0.0049650] | Pa×s | [276.20; 546.90] |
|
| η | 0.0049650 | Pa×s | 276.20 | Joback Calculated Property |
| η | 0.0020428 | Pa×s | 321.32 | Joback Calculated Property |
| η | 0.0010460 | Pa×s | 366.43 | Joback Calculated Property |
| η | 0.0006202 | Pa×s | 411.55 | Joback Calculated Property |
| η | 0.0004078 | Pa×s | 456.67 | Joback Calculated Property |
| η | 0.0002891 | Pa×s | 501.78 | Joback Calculated Property |
| η | 0.0002169 | Pa×s | 546.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2-propyl-4-(2-pentenyl), 2R,4R.
Sources
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