- InChI
- InChI=1S/C12H18O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h3-6,11-12H,1-2,7-10H2/b5-3+,6-4+
- InChI Key
- OWUVDWLTQIPNLN-GGWOSOGESA-N
- Formula
- C12H18O
- SMILES
- C1=CCCC2OC2CCC=CCC1
- Molecular Weight1
- 178.27
- CAS
- 943-93-1
- Other Names
-
- 13-Oxabicyclo[10.1.0]trideca-4,8-diene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -112.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.220 | Crippen Calculated Property | |
| McVol | 155.490 | ml/mol | McGowan Calculated Property |
| Tboil | 540.44 | K | Relay (1.0) Calculated Property |
| Tfus | 323.43 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [385.68; 504.38] | J/mol×K | [542.60; 785.89] | 
|
| Cp,gas | 385.68 | J/mol×K | 542.60 | Joback Calculated Property |
| Cp,gas | 409.36 | J/mol×K | 583.15 | Joback Calculated Property |
| Cp,gas | 431.42 | J/mol×K | 623.70 | Joback Calculated Property |
| Cp,gas | 451.91 | J/mol×K | 664.25 | Joback Calculated Property |
| Cp,gas | 470.86 | J/mol×K | 704.79 | Joback Calculated Property |
| Cp,gas | 488.34 | J/mol×K | 745.34 | Joback Calculated Property |
| Cp,gas | 504.38 | J/mol×K | 785.89 | Joback Calculated Property |
| η | [0.0002046; 0.0087792] | Pa×s | [264.33; 542.60] |
|
| η | 0.0087792 | Pa×s | 264.33 | Joback Calculated Property |
| η | 0.0029394 | Pa×s | 310.71 | Joback Calculated Property |
| η | 0.0013077 | Pa×s | 357.09 | Joback Calculated Property |
| η | 0.0007008 | Pa×s | 403.46 | Joback Calculated Property |
| η | 0.0004272 | Pa×s | 449.84 | Joback Calculated Property |
| η | 0.0002856 | Pa×s | 496.22 | Joback Calculated Property |
| η | 0.0002046 | Pa×s | 542.60 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [356.00; 356.20] | K | [0.10; 0.10] |
|
| Tboilr | 356.20 | K | 0.10 | NIST |
| Tboilr | 356.00 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Epoxy-5,9-cyclododecadiene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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