- 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.
- Ip : 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° | 58.48 | 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 | |
| Ip | [1666.00; 1666.00] |
|
|
| Ip | 1666.00 | NIST | |
| Ip | 1666.00 | NIST | |
| Tboil | 473.74 | K | Relay (1.0) Calculated Property |
| Tc | 641.97 | K | Relay (1.0) Calculated Property |
| Tfus | 217.71 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.32; 593.78] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.80250e+01 | |||
| Coefficient B | 9.48360e-01 | |||
| Coefficient C | -4.39600e-04 | |||
| Coefficient D | 5.70000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 255.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 311.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 361.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 407.80 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 449.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 486.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 519.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 547.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 572.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 593.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042645; 0.0001531] | Pa×s | [238.11; 470.30] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.21957e+01 | |||
| Coefficient B | 1.60444e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 238.11 | |||
| Temperature range, max. | 470.30 | |||
| η | 0.0042645 | Pa×s | 238.11 | Calculated Property |
| η | 0.0022069 | Pa×s | 263.91 | Calculated Property |
| η | 0.0012843 | Pa×s | 289.71 | Calculated Property |
| η | 0.0008166 | Pa×s | 315.51 | Calculated Property |
| η | 0.0005560 | Pa×s | 341.31 | Calculated Property |
| η | 0.0003995 | Pa×s | 367.11 | Calculated Property |
| η | 0.0002999 | Pa×s | 392.91 | Calculated Property |
| η | 0.0002332 | Pa×s | 418.71 | Calculated Property |
| η | 0.0001867 | Pa×s | 444.51 | Calculated Property |
| η | 0.0001531 | Pa×s | 470.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nonenal, dimethylacetal.
Sources
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