- InChI
- InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-7,10H,8-9H2,1-4H3/b6-5+,11-7+
- InChI Key
- YYXHVEGUQLRLSY-LCAICKDSSA-N
- Formula
- C13H20O
- SMILES
- CC=CC=C1C(C)C(=O)CCC1(C)C
- Molecular Weight1
- 192.30
- 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° | 72.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.49 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.514 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Inp | [1521.00; 1521.00] |
|
|
| Inp | 1521.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Tboil | 590.58 | K | Joback Calculated Property |
| Tc | 818.25 | K | Joback Calculated Property |
| Tfus | 336.81 | K | Joback Calculated Property |
| Vc | 0.663 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.51; 554.08] | J/mol×K | [590.58; 818.25] |
|
| Cp,gas | 449.51 | J/mol×K | 590.58 | Joback Calculated Property |
| Cp,gas | 469.24 | J/mol×K | 628.53 | Joback Calculated Property |
| Cp,gas | 487.90 | J/mol×K | 666.47 | Joback Calculated Property |
| Cp,gas | 505.59 | J/mol×K | 704.42 | Joback Calculated Property |
| Cp,gas | 522.44 | J/mol×K | 742.36 | Joback Calculated Property |
| Cp,gas | 538.57 | J/mol×K | 780.31 | Joback Calculated Property |
| Cp,gas | 554.08 | J/mol×K | 818.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Megastigma-6(E),8(E)-dien-4-one.
Sources
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