- InChI
- InChI=1S/C15H22O/c1-10(2)14(16)12-8-13-11(3)6-5-7-15(13,4)9-12/h8,10H,5-7,9H2,1-4H3
- InChI Key
- AUHXWVNWVPJIJR-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
-
CC1=C2C=C(C(=O)C(C)C)CC2(C)CCC
1 - Molecular Weight1
- 218.33
- 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° | 62.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -226.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 4.048 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2169.38 | kPa | Joback Calculated Property |
| Inp | [1656.00; 1656.00] |
|
|
| Inp | 1656.00 | NIST | |
| Inp | 1656.00 | NIST | |
| I | [2160.00; 2160.00] |
|
|
| I | 2160.00 | NIST | |
| I | 2160.00 | NIST | |
| Tboil | 640.49 | K | Joback Calculated Property |
| Tc | 865.05 | K | Joback Calculated Property |
| Tfus | 386.28 | K | Joback Calculated Property |
| Vc | 0.737 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.26; 622.62] | J/mol×K | [640.49; 865.05] |
|
| Cp,gas | 523.26 | J/mol×K | 640.49 | Joback Calculated Property |
| Cp,gas | 541.85 | J/mol×K | 677.92 | Joback Calculated Property |
| Cp,gas | 559.40 | J/mol×K | 715.34 | Joback Calculated Property |
| Cp,gas | 576.09 | J/mol×K | 752.77 | Joback Calculated Property |
| Cp,gas | 592.08 | J/mol×K | 790.20 | Joback Calculated Property |
| Cp,gas | 607.54 | J/mol×K | 827.62 | Joback Calculated Property |
| Cp,gas | 622.62 | J/mol×K | 865.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Porosadien-7-one.
Sources
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