- InChI
- InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-12(14-11)9-7-10-13/h7,9-12H,2-6,8H2,1H3/b9-7+/t11-,12-/m0/s1
- InChI Key
- ZYDXKAHTGWQVMS-JONLBCGYSA-N
- Formula
- C12H20O2
- SMILES
- CCCCCCCC1OC1C=CC=O
- Molecular Weight1
- 196.29
- Other Names
-
- trans-4,5-Epoxy-(E)-2-dodecenal
- 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).
- 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).
- 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 | 0.5707 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.869 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2151.31 | kPa | Joback Calculated Property |
| Inp | [1526.00; 1526.00] |
|
|
| Inp | 1526.00 | NIST | |
| Inp | 1526.00 | NIST | |
| I | 2210.00 | NIST | |
| Tboil | 529.88 | K | Relay (1.0) Calculated Property |
| Tc | 726.11 | K | Relay (1.0) Calculated Property |
| Tfus | 298.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.81; 522.39] | J/mol×K | [555.80; 740.37] |
|
| Cp,gas | 438.81 | J/mol×K | 555.80 | Joback Calculated Property |
| Cp,gas | 454.66 | J/mol×K | 586.56 | Joback Calculated Property |
| Cp,gas | 469.69 | J/mol×K | 617.32 | Joback Calculated Property |
| Cp,gas | 483.93 | J/mol×K | 648.08 | Joback Calculated Property |
| Cp,gas | 497.44 | J/mol×K | 678.85 | Joback Calculated Property |
| Cp,gas | 510.24 | J/mol×K | 709.61 | Joback Calculated Property |
| Cp,gas | 522.39 | J/mol×K | 740.37 | Joback Calculated Property |
| η | [0.0005242; 0.0026476] | Pa×s | [302.19; 555.80] |
|
| η | 0.0026476 | Pa×s | 302.19 | Joback Calculated Property |
| η | 0.0017128 | Pa×s | 344.46 | Joback Calculated Property |
| η | 0.0012187 | Pa×s | 386.73 | Joback Calculated Property |
| η | 0.0009273 | Pa×s | 429.00 | Joback Calculated Property |
| η | 0.0007410 | Pa×s | 471.26 | Joback Calculated Property |
| η | 0.0006144 | Pa×s | 513.53 | Joback Calculated Property |
| η | 0.0005242 | Pa×s | 555.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-4,5-epoxy-(E)-dodec-2-enal.
Sources
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