- InChI
- InChI=1S/C11H22O2/c1-3-4-5-6-7-11-12-8-10(2)9-13-11/h10-11H,3-9H2,1-2H3/t10-,11-
- InChI Key
- ZOVQWQKIOCKGED-XYPYZODXSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCC[C@H]1OC[C@H](C)CO1
- Molecular Weight1
- 186.30
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- 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 | 0.4626 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6893.00 ± 13.00 | kJ/mol | NIST |
| ΔfG° | -113.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -518.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -580.00 ± 13.00 | kJ/mol | NIST |
| ΔfusH° | 33.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.966 | Crippen Calculated Property | |
| McVol | 166.730 | ml/mol | McGowan Calculated Property |
| Pc | 2224.99 | kPa | Joback Calculated Property |
| Tboil | 507.40 | K | Relay (1.0) Calculated Property |
| Tc | 682.42 | K | Relay (1.0) Calculated Property |
| Tfus | 238.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.76; 518.84] | J/mol×K | [519.86; 712.81] | 
|
| Cp,gas | 416.76 | J/mol×K | 519.86 | Joback Calculated Property |
| Cp,gas | 435.96 | J/mol×K | 552.02 | Joback Calculated Property |
| Cp,gas | 454.26 | J/mol×K | 584.18 | Joback Calculated Property |
| Cp,gas | 471.69 | J/mol×K | 616.34 | Joback Calculated Property |
| Cp,gas | 488.24 | J/mol×K | 648.49 | Joback Calculated Property |
| Cp,gas | 503.96 | J/mol×K | 680.65 | Joback Calculated Property |
| Cp,gas | 518.84 | J/mol×K | 712.81 | Joback Calculated Property |
| η | [0.0002794; 0.0055245] | Pa×s | [270.01; 519.86] |
|
| η | 0.0055245 | Pa×s | 270.01 | Joback Calculated Property |
| η | 0.0024098 | Pa×s | 311.65 | Joback Calculated Property |
| η | 0.0012782 | Pa×s | 353.29 | Joback Calculated Property |
| η | 0.0007750 | Pa×s | 394.94 | Joback Calculated Property |
| η | 0.0005170 | Pa×s | 436.58 | Joback Calculated Property |
| η | 0.0003700 | Pa×s | 478.22 | Joback Calculated Property |
| η | 0.0002794 | Pa×s | 519.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-2-Hexyl-5-methyl-1,3-dioxane.
Sources
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