- InChI
- InChI=1S/C12H22O2/c1-4-6-7-8-11-9-10-13-12(3,5-2)14-11/h6-7,11H,4-5,8-10H2,1-3H3/b7-6+/t11-,12-/m0/s1
- InChI Key
- ZBHDHORAJVLHID-KZQRZKTQSA-N
- Formula
- C12H22O2
- SMILES
- CCC=CCC1CCOC(C)(CC)O1
- Molecular Weight1
- 198.30
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3904 | Relay (1.0) Calculated Property | |
| ΔfG° | -30.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.274 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| I | 1570.00 | NIST | |
| Tboil | 493.04 | K | Relay (1.0) Calculated Property |
| Tc | 677.04 | K | Relay (1.0) Calculated Property |
| Tfus | 230.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.38; 550.19] | J/mol×K | [547.14; 753.86] | 
|
| Cp,gas | 448.38 | J/mol×K | 547.14 | Joback Calculated Property |
| Cp,gas | 467.80 | J/mol×K | 581.59 | Joback Calculated Property |
| Cp,gas | 486.09 | J/mol×K | 616.05 | Joback Calculated Property |
| Cp,gas | 503.37 | J/mol×K | 650.50 | Joback Calculated Property |
| Cp,gas | 519.74 | J/mol×K | 684.95 | Joback Calculated Property |
| Cp,gas | 535.31 | J/mol×K | 719.41 | Joback Calculated Property |
| Cp,gas | 550.19 | J/mol×K | 753.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2-ethyl-2-methyl-4-(2-pentenyl), 2R,4R.
Sources
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