- InChI
- InChI=1S/C13H24O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9,11-12,15H,5-8H2,1-4H3
- InChI Key
- GZFXCGAUFAQBLT-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CC(=O)CCC1C(C)CC(O)CC1(C)C
- Molecular Weight1
- 212.33
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5835 | Relay (1.0) Calculated Property | |
| ΔfG° | -211.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.789 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 2143.35 | kPa | Joback Calculated Property |
| I | [2559.00; 2559.00] |
|
|
| I | 2559.00 | NIST | |
| I | 2559.00 | NIST | |
| Tboil | 566.14 | K | Relay (1.0) Calculated Property |
| Tc | 763.30 | K | Relay (1.0) Calculated Property |
| Tfus | 355.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.646 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.95; 645.02] | J/mol×K | [648.67; 841.98] |
|
| Cp,gas | 549.95 | J/mol×K | 648.67 | Joback Calculated Property |
| Cp,gas | 567.58 | J/mol×K | 680.89 | Joback Calculated Property |
| Cp,gas | 584.40 | J/mol×K | 713.11 | Joback Calculated Property |
| Cp,gas | 600.48 | J/mol×K | 745.33 | Joback Calculated Property |
| Cp,gas | 615.90 | J/mol×K | 777.54 | Joback Calculated Property |
| Cp,gas | 630.72 | J/mol×K | 809.76 | Joback Calculated Property |
| Cp,gas | 645.02 | J/mol×K | 841.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxymegastigman-9-one.
Sources
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