- InChI
- InChI=1S/C20H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21-2)22-3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3/b9-8+,12-11+
- InChI Key
- AEIAXQVKYHJVFA-MVKOLZDDSA-N
- Formula
- C20H38O2
- SMILES
- CCCCCC=CCC=CCCCCCCCC(OC)OC
- Molecular Weight1
- 310.51
- CAS
- 1599-51-5
- 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.
- 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 | 0.7285 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.419 | Crippen Calculated Property | |
| McVol | 295.800 | ml/mol | McGowan Calculated Property |
| Pc | 1067.97 | kPa | Joback Calculated Property |
| Inp | 2422.00 | NIST | |
| Tboil | 596.18 | K | Relay (1.0) Calculated Property |
| Tc | 760.17 | K | Relay (1.0) Calculated Property |
| Tfus | 254.70 | 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 | [865.10; 971.16] | J/mol×K | [709.72; 882.40] | 
|
| Cp,gas | 865.10 | J/mol×K | 709.72 | Joback Calculated Property |
| Cp,gas | 884.93 | J/mol×K | 738.50 | Joback Calculated Property |
| Cp,gas | 903.85 | J/mol×K | 767.28 | Joback Calculated Property |
| Cp,gas | 921.91 | J/mol×K | 796.06 | Joback Calculated Property |
| Cp,gas | 939.13 | J/mol×K | 824.84 | Joback Calculated Property |
| Cp,gas | 955.53 | J/mol×K | 853.62 | Joback Calculated Property |
| Cp,gas | 971.16 | J/mol×K | 882.40 | Joback Calculated Property |
| η | [0.0000394; 0.0018328] | Pa×s | [334.46; 709.72] |
|
| η | 0.0018328 | Pa×s | 334.46 | Joback Calculated Property |
| η | 0.0005840 | Pa×s | 397.00 | Joback Calculated Property |
| η | 0.0002540 | Pa×s | 459.55 | Joback Calculated Property |
| η | 0.0001349 | Pa×s | 522.09 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 584.63 | Joback Calculated Property |
| η | 0.0000549 | Pa×s | 647.18 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 709.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,12-Octadecadienal, dimethyl acetal.
Sources
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