- InChI
- InChI=1S/C15H22O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11,13-15H,3-7H2,1-2H3/t11-,13+,14+,15+/m0/s1
- InChI Key
- SVAPNGMAOHQQFJ-ZGKBOVNRSA-N
- Formula
- C15H22O
- SMILES
- C=C(C=O)C1CCC(C)C2CCC(C)=CC12
- 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.
- 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° | 133.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.760 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2025.41 | kPa | Joback Calculated Property |
| Inp | 1675.00 | NIST | |
| I | 2144.00 | NIST | |
| Tboil | 613.18 | K | Joback Calculated Property |
| Tc | 831.74 | K | Joback Calculated Property |
| Tfus | 311.69 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [531.42; 642.51] | J/mol×K | [613.18; 831.74] | 
|
| Cp,gas | 531.42 | J/mol×K | 613.18 | Joback Calculated Property |
| Cp,gas | 553.15 | J/mol×K | 649.61 | Joback Calculated Property |
| Cp,gas | 573.52 | J/mol×K | 686.03 | Joback Calculated Property |
| Cp,gas | 592.59 | J/mol×K | 722.46 | Joback Calculated Property |
| Cp,gas | 610.41 | J/mol×K | 758.89 | Joback Calculated Property |
| Cp,gas | 627.03 | J/mol×K | 795.31 | Joback Calculated Property |
| Cp,gas | 642.51 | J/mol×K | 831.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Artemisinic aldehyde.
Sources
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