- InChI
- InChI=1S/C11H22O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h9-11H,4-8H2,1-3H3/b10-9+
- InChI Key
- VKWXFMOLPWWLDR-MDZDMXLPSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCCC=CC(OC)OC
- Molecular Weight1
- 186.29
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4898 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.132 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 1978.82 | kPa | Joback Calculated Property |
| Inp | [1300.00; 1300.00] |
|
|
| Inp | 1300.00 | NIST | |
| Inp | 1300.00 | NIST | |
| I | [1666.00; 1666.00] |
|
|
| I | 1666.00 | NIST | |
| I | 1666.00 | NIST | |
| Tboil | 473.74 | K | Relay (1.0) Calculated Property |
| Tc | 638.03 | K | Relay (1.0) Calculated Property |
| Tfus | 217.80 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.23; 483.93] | J/mol×K | [499.64; 671.60] |
|
| Cp,gas | 399.23 | J/mol×K | 499.64 | Joback Calculated Property |
| Cp,gas | 414.75 | J/mol×K | 528.30 | Joback Calculated Property |
| Cp,gas | 429.70 | J/mol×K | 556.96 | Joback Calculated Property |
| Cp,gas | 444.09 | J/mol×K | 585.62 | Joback Calculated Property |
| Cp,gas | 457.92 | J/mol×K | 614.28 | Joback Calculated Property |
| Cp,gas | 471.19 | J/mol×K | 642.94 | Joback Calculated Property |
| Cp,gas | 483.93 | J/mol×K | 671.60 | Joback Calculated Property |
| η | [0.0001253; 0.0042645] | Pa×s | [238.11; 499.64] |
|
| η | 0.0042645 | Pa×s | 238.11 | Joback Calculated Property |
| η | 0.0015033 | Pa×s | 281.70 | Joback Calculated Property |
| η | 0.0007008 | Pa×s | 325.29 | Joback Calculated Property |
| η | 0.0003913 | Pa×s | 368.88 | Joback Calculated Property |
| η | 0.0002471 | Pa×s | 412.46 | Joback Calculated Property |
| η | 0.0001704 | Pa×s | 456.05 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 499.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nonenal, dimethylacetal.
Sources
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