- InChI
- InChI=1S/C11H20O2/c1-3-5-6-7-10-8-9-12-11(4-2)13-10/h5-6,10-11H,3-4,7-9H2,1-2H3/b6-5+/t10-,11+/m0/s1
- InChI Key
- YTXWLKKWFUDTMB-PFDYWKIBSA-N
- Formula
- C11H20O2
- SMILES
- CCC=CCC1CCOC(CC)O1
- Molecular Weight1
- 184.28
- 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 | 0.3698 | Relay (1.0) Calculated Property | |
| ΔfG° | -33.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.884 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Pc | 2338.29 | kPa | Joback Calculated Property |
| I | [1537.00; 1537.00] |
|
|
| I | 1537.00 | NIST | |
| I | 1537.00 | NIST | |
| Tboil | 488.09 | K | Relay (1.0) Calculated Property |
| Tc | 678.00 | K | Relay (1.0) Calculated Property |
| Tfus | 241.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.589 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.40; 498.90] | J/mol×K | [524.02; 725.72] |
|
| Cp,gas | 399.40 | J/mol×K | 524.02 | Joback Calculated Property |
| Cp,gas | 418.35 | J/mol×K | 557.64 | Joback Calculated Property |
| Cp,gas | 436.32 | J/mol×K | 591.25 | Joback Calculated Property |
| Cp,gas | 453.32 | J/mol×K | 624.87 | Joback Calculated Property |
| Cp,gas | 469.40 | J/mol×K | 658.49 | Joback Calculated Property |
| Cp,gas | 484.58 | J/mol×K | 692.11 | Joback Calculated Property |
| Cp,gas | 498.90 | J/mol×K | 725.72 | Joback Calculated Property |
| η | [0.0002363; 0.0051639] | Pa×s | [264.93; 524.02] |
|
| η | 0.0051639 | Pa×s | 264.93 | Joback Calculated Property |
| η | 0.0021541 | Pa×s | 308.11 | Joback Calculated Property |
| η | 0.0011140 | Pa×s | 351.29 | Joback Calculated Property |
| η | 0.0006656 | Pa×s | 394.48 | Joback Calculated Property |
| η | 0.0004403 | Pa×s | 437.66 | Joback Calculated Property |
| η | 0.0003136 | Pa×s | 480.84 | Joback Calculated Property |
| η | 0.0002363 | Pa×s | 524.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2-ethyl-4-(2-pentenyl), 2S,4R.
Sources
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