- InChI
- InChI=1S/C14H20O2/c1-10(15)11-5-8-12(2)6-4-7-13(3)14(12,9-11)16-13/h9H,4-8H2,1-3H3/t12-,13-,14?/m1/s1
- InChI Key
- TWMMRCHAYIOZQQ-ZFXTZCCVSA-N
- Formula
- C14H20O2
- SMILES
- CC(=O)C1=CC23OC2(C)CCCC3(C)CC1
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 13.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.014 | Crippen Calculated Property | |
| McVol | 178.680 | ml/mol | McGowan Calculated Property |
| Pc | 2735.42 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1663.00] |
|
|
| Inp | 1663.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1663.00 | NIST | |
| I | [2370.00; 2370.00] |
|
|
| I | 2370.00 | NIST | |
| I | 2370.00 | NIST | |
| Tboil | 634.16 | K | Joback Calculated Property |
| Tc | 877.88 | K | Joback Calculated Property |
| Tfus | 455.80 | K | Joback Calculated Property |
| Vc | 0.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.31; 611.74] | J/mol×K | [634.16; 877.88] |
|
| Cp,gas | 505.31 | J/mol×K | 634.16 | Joback Calculated Property |
| Cp,gas | 523.54 | J/mol×K | 674.78 | Joback Calculated Property |
| Cp,gas | 540.90 | J/mol×K | 715.40 | Joback Calculated Property |
| Cp,gas | 557.90 | J/mol×K | 756.02 | Joback Calculated Property |
| Cp,gas | 575.04 | J/mol×K | 796.64 | Joback Calculated Property |
| Cp,gas | 592.82 | J/mol×K | 837.26 | Joback Calculated Property |
| Cp,gas | 611.74 | J/mol×K | 877.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 13-nor-4,5-Epoxyeudesm-6-en-11-one.
Sources
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