- InChI
- InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h10,21,23,25-28H,11-20H2,1-9H3/b22-10+/t23?,25?,26-,27?,28?,30?,31-,32?,33?/m1/s1
- InChI Key
- BBSRNANRWHSVJE-MHXLLFDMSA-N
- Formula
- C33H54O2
- SMILES
-
CC(=O)OC1CCC23CC24CCC2(C)C(C(C
)CC=C(C)C(C)C)CCC2(C)C4CCC3C1( C)C - Molecular Weight1
- 482.78
- 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 | 0.6525 | Relay (... Calculated Property | |
| ΔfG° | 269.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.94 | kJ/mol | Relay (... Calculated Property |
| IE | 7.88 | eV | Relay (... Calculated Property |
| log10WS | -7.75 | Relay (... Calculated Property | |
| logPoct/wat | 8.986 | Crippen Calculated Property | |
| McVol | 424.670 | ml/mol | McGowan Calculated Property |
| Pc | 840.65 | kPa | Joback Calculated Property |
| Inp | 3441.00 | NIST | |
| Tboil | 698.98 | K | Relay (... Calculated Property |
| Tc | 1012.48 | K | Relay (... Calculated Property |
| Tfus | 439.53 | K | Relay (... Calculated Property |
| Vc | 1.536 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1756.51; 2264.92] | J/mol×K | [1062.92; 1308.02] | 
|
| Cp,gas | 1756.51 | J/mol×K | 1062.92 | Joback Calculated Property |
| Cp,gas | 1821.79 | J/mol×K | 1103.77 | Joback Calculated Property |
| Cp,gas | 1893.67 | J/mol×K | 1144.62 | Joback Calculated Property |
| Cp,gas | 1973.05 | J/mol×K | 1185.47 | Joback Calculated Property |
| Cp,gas | 2060.80 | J/mol×K | 1226.32 | Joback Calculated Property |
| Cp,gas | 2157.79 | J/mol×K | 1267.17 | Joback Calculated Property |
| Cp,gas | 2264.92 | J/mol×K | 1308.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclosadol (24-methyl-23-dehydrocycloartanol) acetate.
Sources
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