- InChI
- InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13H,6,8,10H2,1-4H3
- InChI Key
- ZMIQNSSHYBJKIL-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- CC(C)=CC(=O)CC(C)C1=CC=C(C)CC1
- Molecular Weight1
- 218.33
- CAS
- 180315-67-7
- 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° | 88.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.03 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.214 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 1975.31 | kPa | Joback Calculated Property |
| Inp | [1631.00; 1680.30] |
|
|
| Inp | 1654.00 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1649.00 | NIST | |
| Inp | Outlier 1680.30 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1631.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1649.00 | NIST | |
| I | [2245.00; 2245.00] |
|
|
| I | 2245.00 | NIST | |
| I | 2245.00 | NIST | |
| Tboil | 632.57 | K | Joback Calculated Property |
| Tc | 846.21 | K | Joback Calculated Property |
| Tfus | 312.88 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.50; 613.17] | J/mol×K | [632.57; 846.21] |
|
| Cp,gas | 519.50 | J/mol×K | 632.57 | Joback Calculated Property |
| Cp,gas | 537.67 | J/mol×K | 668.18 | Joback Calculated Property |
| Cp,gas | 554.74 | J/mol×K | 703.78 | Joback Calculated Property |
| Cp,gas | 570.77 | J/mol×K | 739.39 | Joback Calculated Property |
| Cp,gas | 585.82 | J/mol×K | 775.00 | Joback Calculated Property |
| Cp,gas | 599.93 | J/mol×K | 810.60 | Joback Calculated Property |
| Cp,gas | 613.17 | J/mol×K | 846.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tumerone.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.