- InChI
- InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5H,1,6-9H2,2-4H3
- InChI Key
- CZQIKCBGQZBANA-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- C=CCCC1=C(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.
- 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° | 53.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.00 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.658 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2197.95 | kPa | Joback Calculated Property |
| Inp | [1517.00; 1517.00] |
|
|
| Inp | 1517.00 | NIST | |
| Inp | 1517.00 | NIST | |
| I | [2026.00; 2026.00] |
|
|
| I | 2026.00 | NIST | |
| I | 2026.00 | NIST | |
| Tboil | 590.25 | K | Joback Calculated Property |
| Tc | 810.12 | K | Joback Calculated Property |
| Tfus | 359.81 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.49; 544.99] | J/mol×K | [590.25; 810.12] |
|
| Cp,gas | 446.49 | J/mol×K | 590.25 | Joback Calculated Property |
| Cp,gas | 464.93 | J/mol×K | 626.89 | Joback Calculated Property |
| Cp,gas | 482.43 | J/mol×K | 663.54 | Joback Calculated Property |
| Cp,gas | 499.10 | J/mol×K | 700.18 | Joback Calculated Property |
| Cp,gas | 515.02 | J/mol×K | 736.83 | Joback Calculated Property |
| Cp,gas | 530.29 | J/mol×K | 773.47 | Joback Calculated Property |
| Cp,gas | 544.99 | J/mol×K | 810.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Megastigma-5,8-diene-4-one.
Sources
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