- InChI
- InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3
- InChI Key
- GWHRSRIPLDHJHR-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
-
C=CC1(C)CCC(C(C)C)C(=O)C1C(=C)
C - Molecular Weight1
- 220.35
- CAS
- 21698-44-2
- 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.
- 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° | 121.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 4.006 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 1823.17 | kPa | Joback Calculated Property |
| Inp | [1487.00; 1518.90] |
|
|
| Inp | 1491.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | Outlier 1518.90 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | Outlier 1518.90 | NIST | |
| Inp | 1500.00 | NIST | |
| I | [1890.00; 1900.00] |
|
|
| I | 1900.00 | NIST | |
| I | 1897.00 | NIST | |
| I | 1890.00 | NIST | |
| I | 1897.00 | NIST | |
| I | 1900.00 | NIST | |
| Tboil | 613.67 | K | Joback Calculated Property |
| Tc | 834.59 | K | Joback Calculated Property |
| Tfus | 317.35 | K | Joback Calculated Property |
| Vc | 0.768 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.57; 670.21] | J/mol×K | [613.67; 834.59] |
|
| Cp,gas | 552.57 | J/mol×K | 613.67 | Joback Calculated Property |
| Cp,gas | 574.78 | J/mol×K | 650.49 | Joback Calculated Property |
| Cp,gas | 595.82 | J/mol×K | 687.31 | Joback Calculated Property |
| Cp,gas | 615.78 | J/mol×K | 724.13 | Joback Calculated Property |
| Cp,gas | 634.76 | J/mol×K | 760.95 | Joback Calculated Property |
| Cp,gas | 652.87 | J/mol×K | 797.77 | Joback Calculated Property |
| Cp,gas | 670.21 | J/mol×K | 834.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to SHYOBUNONE.
Sources
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.