- InChI
- InChI=1S/C33H58O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h21-23,25-29H,11-20H2,1-10H3/t22?,23-,25?,26?,27?,28?,29-,31+,32+,33-/m1/s1
- InChI Key
- YFYYDOQQCHZXIX-JZFRLXDESA-N
- Formula
- C33H58O2
- SMILES
-
CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C
)CCC(C)C(C)C)CCC4(C)C3CCC2C1(C )C - Molecular Weight1
- 486.81
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 107.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -765.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.41 | kJ/mol | Joback Calculated Property |
| log10WS | -9.53 | Crippen Calculated Property | |
| logPoct/wat | 9.312 | Crippen Calculated Property | |
| McVol | 439.830 | ml/mol | McGowan Calculated Property |
| Pc | 748.15 | kPa | Joback Calculated Property |
| Inp | [3485.00; 3485.00] |
|
|
| Inp | 3485.00 | NIST | |
| Inp | 3485.00 | NIST | |
| Tboil | 1055.33 | K | Joback Calculated Property |
| Tc | 1294.80 | K | Joback Calculated Property |
| Tfus | 617.39 | K | Joback Calculated Property |
| Vc | 1.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1789.86; 2174.79] | J/mol×K | [1055.33; 1294.80] |
|
| Cp,gas | 1789.86 | J/mol×K | 1055.33 | Joback Calculated Property |
| Cp,gas | 1842.78 | J/mol×K | 1095.24 | Joback Calculated Property |
| Cp,gas | 1899.38 | J/mol×K | 1135.15 | Joback Calculated Property |
| Cp,gas | 1960.26 | J/mol×K | 1175.07 | Joback Calculated Property |
| Cp,gas | 2026.04 | J/mol×K | 1214.98 | Joback Calculated Property |
| Cp,gas | 2097.35 | J/mol×K | 1254.89 | Joback Calculated Property |
| Cp,gas | 2174.79 | J/mol×K | 1294.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyllanostanol acetate.
Sources
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