- InChI
- InChI=1S/C12H22O2/c1-4-5-6-7-11-8-9-13-12(14-11)10(2)3/h5-6,10-12H,4,7-9H2,1-3H3/b6-5+/t11-,12-/m0/s1
- InChI Key
- URODEFYSNWWYIU-WTIVYXKASA-N
- Formula
- C12H22O2
- SMILES
- CCC=CCC1CCOC(C(C)C)O1
- Molecular Weight1
- 198.30
- ω : Acentric Factor.
- 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).
- 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 | 0.3896 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.130 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2151.31 | kPa | Joback Calculated Property |
| I | [1600.00; 1600.00] |
|
|
| I | 1600.00 | NIST | |
| I | 1600.00 | NIST | |
| Tboil | 504.31 | K | Relay (1.0) Calculated Property |
| Tc | 690.14 | K | Relay (1.0) Calculated Property |
| Tfus | 254.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.636 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.38; 554.01] | J/mol×K | [546.46; 749.53] |
|
| Cp,gas | 449.38 | J/mol×K | 546.46 | Joback Calculated Property |
| Cp,gas | 469.38 | J/mol×K | 580.30 | Joback Calculated Property |
| Cp,gas | 488.31 | J/mol×K | 614.15 | Joback Calculated Property |
| Cp,gas | 506.20 | J/mol×K | 647.99 | Joback Calculated Property |
| Cp,gas | 523.10 | J/mol×K | 681.84 | Joback Calculated Property |
| Cp,gas | 539.02 | J/mol×K | 715.68 | Joback Calculated Property |
| Cp,gas | 554.01 | J/mol×K | 749.53 | Joback Calculated Property |
| η | [0.0002038; 0.0072168] | Pa×s | [261.20; 546.46] |
|
| η | 0.0072168 | Pa×s | 261.20 | Joback Calculated Property |
| η | 0.0025199 | Pa×s | 308.74 | Joback Calculated Property |
| η | 0.0011651 | Pa×s | 356.29 | Joback Calculated Property |
| η | 0.0006460 | Pa×s | 403.83 | Joback Calculated Property |
| η | 0.0004056 | Pa×s | 451.37 | Joback Calculated Property |
| η | 0.0002783 | Pa×s | 498.92 | Joback Calculated Property |
| η | 0.0002038 | Pa×s | 546.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2-isopropyl-4-(2-pentenyl), 2R,4R.
Sources
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