- InChI
- InChI=1S/C12H16O3/c13-11-7-3-1-2-6-10-15-12(14)9-5-4-8-11/h1-2,5,9H,3-4,6-8,10H2/b2-1-,9-5+
- InChI Key
- QPFMJNUWOHGONF-RLKBUKNLSA-N
- Formula
- C12H16O3
- SMILES
- O=C1CCC=CCCOC(=O)C=CCC1
- Molecular Weight1
- 208.25
- CAS
- 144403-15-6
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -273.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.84 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.175 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 3005.73 | kPa | Joback Calculated Property |
| Inp | 1737.80 | NIST | |
| Tboil | 688.98 | K | Joback Calculated Property |
| Tc | 967.11 | K | Joback Calculated Property |
| Tfus | 376.51 | K | Joback Calculated Property |
| Vc | 0.593 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.44; 578.83] | J/mol×K | [688.98; 967.11] | 
|
| Cp,gas | 477.44 | J/mol×K | 688.98 | Joback Calculated Property |
| Cp,gas | 500.24 | J/mol×K | 735.33 | Joback Calculated Property |
| Cp,gas | 520.90 | J/mol×K | 781.69 | Joback Calculated Property |
| Cp,gas | 539.24 | J/mol×K | 828.04 | Joback Calculated Property |
| Cp,gas | 555.12 | J/mol×K | 874.40 | Joback Calculated Property |
| Cp,gas | 568.37 | J/mol×K | 920.75 | Joback Calculated Property |
| Cp,gas | 578.83 | J/mol×K | 967.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3E,10Z)-Oxacyclotrideca-3,10-diene-2,7-dione.
Sources
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