- InChI
- InChI=1S/C24H36O4/c1-21(2)27-14-20(28-21)24(26)12-9-19-17-6-5-15-13-16(25)7-10-22(15,3)18(17)8-11-23(19,24)4/h13,17-20,26H,5-12,14H2,1-4H3/t17?,18?,19?,20-,22+,23+,24+/m0/s1
- InChI Key
- KJLQBUCRDREEMB-CVXBYTLUSA-N
- Formula
- C24H36O4
- SMILES
-
CC1(C)OCC(C2(O)CCC3C4CCC5=CC(=
O)CCC5(C)C4CCC32C)O1 - Molecular Weight1
- 388.54
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6582 | Relay (... Calculated Property | |
| ΔfG° | -86.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.21 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.95 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -4.36 | Relay (... Calculated Property | |
| logPoct/wat | 4.401 | Crippen Calculated Property | |
| McVol | 309.600 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | 3015.00 | NIST | |
| Tboil | 684.89 | K | Relay (... Calculated Property |
| Tc | 991.80 | K | Relay (... Calculated Property |
| Tfus | 440.29 | K | Relay (... Calculated Property |
| Vc | 1.184 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1257.55; 1600.38] | J/mol×K | [1017.10; 1269.86] | 
|
| Cp,gas | 1257.55 | J/mol×K | 1017.10 | Joback Calculated Property |
| Cp,gas | 1302.17 | J/mol×K | 1059.23 | Joback Calculated Property |
| Cp,gas | 1350.88 | J/mol×K | 1101.35 | Joback Calculated Property |
| Cp,gas | 1404.38 | J/mol×K | 1143.48 | Joback Calculated Property |
| Cp,gas | 1463.33 | J/mol×K | 1185.61 | Joback Calculated Property |
| Cp,gas | 1528.44 | J/mol×K | 1227.73 | Joback Calculated Property |
| Cp,gas | 1600.38 | J/mol×K | 1269.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17«alpha»,20«beta»,21-Trihydroxypregn-4-en-3-one, acetonide.
Sources
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