- InChI
- InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,9-10,12,14H,7-8H2,1-4H3/b6-5+
- InChI Key
- WFSOPDPEWLYCRX-AATRIKPKSA-N
- Formula
- C13H22O2
- SMILES
- CC(O)C=CC1C(C)CC(=O)CC1(C)C
- Molecular Weight1
- 210.31
- 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).
- 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° | -119.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.565 | Crippen Calculated Property | |
| McVol | 186.310 | ml/mol | McGowan Calculated Property |
| Pc | 2278.41 | kPa | Joback Calculated Property |
| I | [2473.00; 2473.00] |
|
|
| I | 2473.00 | NIST | |
| I | 2473.00 | NIST | |
| Tboil | 671.01 | K | Joback Calculated Property |
| Tc | 879.89 | K | Joback Calculated Property |
| Tfus | 368.03 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.16; 635.72] | J/mol×K | [671.01; 879.89] |
|
| Cp,gas | 539.16 | J/mol×K | 671.01 | Joback Calculated Property |
| Cp,gas | 557.04 | J/mol×K | 705.82 | Joback Calculated Property |
| Cp,gas | 574.10 | J/mol×K | 740.64 | Joback Calculated Property |
| Cp,gas | 590.41 | J/mol×K | 775.45 | Joback Calculated Property |
| Cp,gas | 606.06 | J/mol×K | 810.26 | Joback Calculated Property |
| Cp,gas | 621.13 | J/mol×K | 845.07 | Joback Calculated Property |
| Cp,gas | 635.72 | J/mol×K | 879.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-Hydroxymegastigm-7-en-3-one.
Sources
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