- InChI
- InChI=1S/C15H24O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8-13,16H,4-7H2,1-3H3
- InChI Key
- JQGOBHOUYKYFPD-UHFFFAOYSA-N
- Formula
- C15H24O4
- SMILES
-
CC1CCC2C(C)C(O)OC3OC4(C)CCC1C3
2O4 - Molecular Weight1
- 268.35
- CAS
- 72807-92-2
- Other Names
-
- Deoxydihydroqinghaosu
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.5707 | Relay (... Calculated Property | |
| ΔfG° | -154.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.29 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.66 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -3.03 | Relay (... Calculated Property | |
| logPoct/wat | 2.255 | Crippen Calculated Property | |
| McVol | 202.250 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Tboil | 581.05 | K | Relay (... Calculated Property |
| Tc | 860.09 | K | Relay (... Calculated Property |
| Tfus | 418.38 | K | Relay (... Calculated Property |
| Vc | 0.798 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.11; 810.86] | J/mol×K | [737.20; 956.73] | 
|
| Cp,gas | 693.11 | J/mol×K | 737.20 | Joback Calculated Property |
| Cp,gas | 713.02 | J/mol×K | 773.79 | Joback Calculated Property |
| Cp,gas | 732.44 | J/mol×K | 810.38 | Joback Calculated Property |
| Cp,gas | 751.66 | J/mol×K | 846.97 | Joback Calculated Property |
| Cp,gas | 770.95 | J/mol×K | 883.56 | Joback Calculated Property |
| Cp,gas | 790.60 | J/mol×K | 920.14 | Joback Calculated Property |
| Cp,gas | 810.86 | J/mol×K | 956.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dihydroartemisinin, 3-desoxy-.
Sources
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