- InChI
- InChI=1S/C15H22O/c1-9(2)13-8-14-10(3)5-6-12(14)11(4)7-15(13)16/h10-11H,5-8H2,1-4H3/t10-,11-/m1/s1
- InChI Key
- WJQUHMZHLUTNPJ-GHMZBOCLSA-N
- Formula
- C15H22O
- SMILES
- CC(C)=C1CC2=C(CCC2C)C(C)CC1=O
- 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.
- 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° | 73.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.23 | 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 | 2023.58 | kPa | Joback Calculated Property |
| Inp | [1677.00; 1680.00] |
|
|
| Inp | 1677.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Tboil | 656.62 | K | Joback Calculated Property |
| Tc | 888.37 | K | Joback Calculated Property |
| Tfus | 371.03 | K | Joback Calculated Property |
| Vc | 0.735 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.57; 650.50] | J/mol×K | [656.62; 888.37] |
|
| Cp,gas | 542.57 | J/mol×K | 656.62 | Joback Calculated Property |
| Cp,gas | 563.73 | J/mol×K | 695.24 | Joback Calculated Property |
| Cp,gas | 583.58 | J/mol×K | 733.87 | Joback Calculated Property |
| Cp,gas | 602.15 | J/mol×K | 772.49 | Joback Calculated Property |
| Cp,gas | 619.47 | J/mol×K | 811.12 | Joback Calculated Property |
| Cp,gas | 635.58 | J/mol×K | 849.74 | Joback Calculated Property |
| Cp,gas | 650.50 | J/mol×K | 888.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Calamusenone.
Sources
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