- InChI
- InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9-10,14H,6-8H2,1-4H3/b13-10-
- InChI Key
- OJEFBZMKKJTKKK-RAXLEYEMSA-N
- Formula
- C15H22O
- SMILES
- CC(C)=CC(=O)C=C(C)C1CC=C(C)CC1
- Molecular Weight1
- 218.33
- Other Names
-
- «alpha»-(Z)-Atlantone
- 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.
- 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° | 134.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -150.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.19 | 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 | 1966.56 | kPa | Joback Calculated Property |
| Inp | [1703.00; 1722.00] |
|
|
| Inp | 1703.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | 1722.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Inp | 1703.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Inp | 1722.00 | NIST | |
| Inp | 1703.00 | NIST | |
| Tboil | 628.24 | K | Joback Calculated Property |
| Tc | 847.12 | K | Joback Calculated Property |
| Tfus | 291.32 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.72; 621.10] | J/mol×K | [628.24; 847.12] |
|
| Cp,gas | 521.72 | J/mol×K | 628.24 | Joback Calculated Property |
| Cp,gas | 541.09 | J/mol×K | 664.72 | Joback Calculated Property |
| Cp,gas | 559.24 | J/mol×K | 701.20 | Joback Calculated Property |
| Cp,gas | 576.24 | J/mol×K | 737.68 | Joback Calculated Property |
| Cp,gas | 592.18 | J/mol×K | 774.16 | Joback Calculated Property |
| Cp,gas | 607.10 | J/mol×K | 810.64 | Joback Calculated Property |
| Cp,gas | 621.10 | J/mol×K | 847.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Atlantone (Z).
Sources
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