- InChI
- InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3/b7-6+
- InChI Key
- YKVWPZJHENXDAJ-VOTSOKGWSA-N
- Formula
- C13H18O
- SMILES
- C=CC=CC1C(C)=CC(=O)CC1(C)C
- Molecular Weight1
- 190.28
- CAS
- 38818-55-2
- 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° | 135.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.290 | Crippen Calculated Property | |
| McVol | 171.840 | ml/mol | McGowan Calculated Property |
| Pc | 2269.73 | kPa | Joback Calculated Property |
| Inp | [1435.00; 1473.00] |
|
|
| Inp | 1473.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Tboil | 584.76 | K | Joback Calculated Property |
| Tc | 813.41 | K | Joback Calculated Property |
| Tfus | 337.97 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [428.27; 527.45] | J/mol×K | [584.76; 813.41] |
|
| Cp,gas | 428.27 | J/mol×K | 584.76 | Joback Calculated Property |
| Cp,gas | 447.05 | J/mol×K | 622.87 | Joback Calculated Property |
| Cp,gas | 464.77 | J/mol×K | 660.98 | Joback Calculated Property |
| Cp,gas | 481.55 | J/mol×K | 699.08 | Joback Calculated Property |
| Cp,gas | 497.51 | J/mol×K | 737.19 | Joback Calculated Property |
| Cp,gas | 512.77 | J/mol×K | 775.30 | Joback Calculated Property |
| Cp,gas | 527.45 | J/mol×K | 813.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Megastigmatrienone.
Sources
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