- InChI
- InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11-15H,4-7H2,1-3H3/t11-,12?,13+,14+,15+/m0/s1
- InChI Key
- PIUSZJFEZXYOAT-OKMQTDMMSA-N
- Formula
- C15H24O
- SMILES
- CC1=CC2C(C(C)C=O)CCC(C)C2CC1
- Molecular Weight1
- 220.35
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3860 | Relay (... Calculated Property | |
| ΔfG° | 51.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.72 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.05 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -4.55 | Relay (... Calculated Property | |
| logPoct/wat | 3.840 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| I | [2096.00; 2096.00] |
|
|
| I | 2096.00 | NIST | |
| I | 2096.00 | NIST | |
| Tboil | 551.54 | K | Relay (... Calculated Property |
| Tc | 783.45 | K | Relay (... Calculated Property |
| Tfus | 354.61 | K | Relay (... Calculated Property |
| Vc | 0.665 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [554.04; 668.77] | J/mol×K | [616.18; 831.10] |
|
| Cp,gas | 554.04 | J/mol×K | 616.18 | Joback Calculated Property |
| Cp,gas | 576.39 | J/mol×K | 652.00 | Joback Calculated Property |
| Cp,gas | 597.38 | J/mol×K | 687.82 | Joback Calculated Property |
| Cp,gas | 617.07 | J/mol×K | 723.64 | Joback Calculated Property |
| Cp,gas | 635.50 | J/mol×K | 759.46 | Joback Calculated Property |
| Cp,gas | 652.72 | J/mol×K | 795.28 | Joback Calculated Property |
| Cp,gas | 668.77 | J/mol×K | 831.10 | Joback Calculated Property |
| η | [0.0004859; 0.0029027] | Pa×s | [312.41; 616.18] |
|
| η | 0.0029027 | Pa×s | 312.41 | Joback Calculated Property |
| η | 0.0017507 | Pa×s | 363.04 | Joback Calculated Property |
| η | 0.0011950 | Pa×s | 413.67 | Joback Calculated Property |
| η | 0.0008866 | Pa×s | 464.30 | Joback Calculated Property |
| η | 0.0006975 | Pa×s | 514.92 | Joback Calculated Property |
| η | 0.0005728 | Pa×s | 565.55 | Joback Calculated Property |
| η | 0.0004859 | Pa×s | 616.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dihydroartemisinic aldehyde, isomer # 1.
Sources
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