- InChI
- InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3
- InChI Key
- NBMKJKDGKREAPL-UHFFFAOYSA-N
- Formula
- C22H29ClO5
- SMILES
-
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(
Cl)C(O)CC2(C)C1(O)C(=O)CO - Molecular Weight1
- 408.92
- CAS
- 4419-39-0
- Other Names
-
- Pregna-1,4-diene-3,20-dione, 9-chloro-11,17,21-trihydroxy-16-methyl-, (11«beta»,16«beta»)-
- 9-Chloro-11«beta»,17,21-trihydroxy-16«beta»-methyl-pregna-1,4-diene-3,20-dione
- 9«alpha»-Chloro-16«beta»-methylprednisolone
- Beclometasone
- 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 | 0.8339 | Relay (1.0) Calculated Property | |
| ΔfG° | -359.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -765.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 166.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.165 | Crippen Calculated Property | |
| McVol | 301.790 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Tboil | 686.25 | K | Relay (1.0) Calculated Property |
| Tc | 1051.39 | K | Relay (1.0) Calculated Property |
| Tfus | 509.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.052 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1317.36; 1824.13] | J/mol×K | [1172.31; 1436.12] | 
|
| Cp,gas | 1317.36 | J/mol×K | 1172.31 | Joback Calculated Property |
| Cp,gas | 1380.91 | J/mol×K | 1216.28 | Joback Calculated Property |
| Cp,gas | 1451.82 | J/mol×K | 1260.25 | Joback Calculated Property |
| Cp,gas | 1530.84 | J/mol×K | 1304.21 | Joback Calculated Property |
| Cp,gas | 1618.73 | J/mol×K | 1348.18 | Joback Calculated Property |
| Cp,gas | 1716.24 | J/mol×K | 1392.15 | Joback Calculated Property |
| Cp,gas | 1824.13 | J/mol×K | 1436.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Beclomethasone.
Sources
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