- InChI
- InChI=1S/C14H20O2/c1-9-5-4-6-13(3)8-12-14(16-12,10(2)15)7-11(9)13/h11-12H,1,4-8H2,2-3H3/t11?,12?,13-,14?/m1/s1
- InChI Key
- BCXYPNGIQHAWNZ-WCFLAILDSA-N
- Formula
- C14H20O2
- SMILES
- C=C1CCCC2(C)CC3OC3(C(C)=O)CC12
- Molecular Weight1
- 220.31
- 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° | 44.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.869 | Crippen Calculated Property | |
| McVol | 178.680 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| Inp | 1657.00 | NIST | |
| Tboil | 624.27 | K | Joback Calculated Property |
| Tc | 857.58 | K | Joback Calculated Property |
| Tfus | 428.06 | K | Joback Calculated Property |
| Vc | 0.680 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.47; 614.17] | J/mol×K | [624.27; 857.58] | 
|
| Cp,gas | 509.47 | J/mol×K | 624.27 | Joback Calculated Property |
| Cp,gas | 528.65 | J/mol×K | 663.16 | Joback Calculated Property |
| Cp,gas | 546.71 | J/mol×K | 702.04 | Joback Calculated Property |
| Cp,gas | 563.97 | J/mol×K | 740.93 | Joback Calculated Property |
| Cp,gas | 580.75 | J/mol×K | 779.81 | Joback Calculated Property |
| Cp,gas | 597.38 | J/mol×K | 818.70 | Joback Calculated Property |
| Cp,gas | 614.17 | J/mol×K | 857.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13-nor-7,8-Epoxy-eudesm-4(15)-en-11-one.
Sources
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