- InChI
- InChI=1S/C13H20O2/c1-9-8-10(14)11-12(2,3)6-5-7-13(11,4)15-9/h5,7,9,11H,6,8H2,1-4H3/t9-,11?,13-/m0/s1
- InChI Key
- MWMVBTVTTIYZCK-NTPLCPOISA-N
- Formula
- C13H20O2
- SMILES
- CC1CC(=O)C2C(C)(C)CC=CC2(C)O1
- Molecular Weight1
- 208.30
- ω : Acentric Factor.
- 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).
- 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.
- 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 | 0.3768 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -402.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.725 | Crippen Calculated Property | |
| McVol | 175.450 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | 1488.10 | NIST | |
| Tboil | 517.00 | K | Relay (1.0) Calculated Property |
| Tc | 748.42 | K | Relay (1.0) Calculated Property |
| Tfus | 360.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.608 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.18; 605.24] | J/mol×K | [612.47; 856.32] | 
|
| Cp,gas | 489.18 | J/mol×K | 612.47 | Joback Calculated Property |
| Cp,gas | 510.62 | J/mol×K | 653.11 | Joback Calculated Property |
| Cp,gas | 530.88 | J/mol×K | 693.75 | Joback Calculated Property |
| Cp,gas | 550.21 | J/mol×K | 734.39 | Joback Calculated Property |
| Cp,gas | 568.88 | J/mol×K | 775.04 | Joback Calculated Property |
| Cp,gas | 587.13 | J/mol×K | 815.68 | Joback Calculated Property |
| Cp,gas | 605.24 | J/mol×K | 856.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-oxo-Dihydroedulan II.
Sources
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