- InChI
- InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12H,1,8-9H2,2-6H3
- InChI Key
- YMIHAYABXZORPU-UHFFFAOYSA-N
- Formula
- C15H24O
- SMILES
-
C=CC1(C)CCC(C(C)C)C(=O)C1=C(C)
C - Molecular Weight1
- 220.35
- 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° | 86.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -255.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 4.150 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 1854.71 | kPa | Joback Calculated Property |
| Inp | [1518.00; 1521.00] |
|
|
| Inp | 1521.00 | NIST | |
| Inp | 1518.00 | NIST | |
| I | 1880.00 | NIST | |
| Tboil | 628.30 | K | Joback Calculated Property |
| Tc | 851.27 | K | Joback Calculated Property |
| Tfus | 333.71 | K | Joback Calculated Property |
| Vc | 0.771 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.73; 666.10] | J/mol×K | [628.30; 851.27] |
|
| Cp,gas | 552.73 | J/mol×K | 628.30 | Joback Calculated Property |
| Cp,gas | 574.02 | J/mol×K | 665.46 | Joback Calculated Property |
| Cp,gas | 594.20 | J/mol×K | 702.62 | Joback Calculated Property |
| Cp,gas | 613.39 | J/mol×K | 739.79 | Joback Calculated Property |
| Cp,gas | 631.70 | J/mol×K | 776.95 | Joback Calculated Property |
| Cp,gas | 649.23 | J/mol×K | 814.11 | Joback Calculated Property |
| Cp,gas | 666.10 | J/mol×K | 851.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isoshyobunone.
Sources
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