- InChI
- InChI=1S/C33H56O2/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/h21-23,25,28-29H,11-20H2,1-10H3/t22?,23-,25?,28?,29-,31+,32+,33-/m1/s1
- InChI Key
- SWYDFFCKOFIWAM-LXOXAYJKSA-N
- Formula
- C33H56O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)
C)C1(C)CCC(C(C)CCC(C)C(C)C)C1( C)CC3 - Molecular Weight1
- 484.80
- 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° | 133.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.64 | kJ/mol | Joback Calculated Property |
| log10WS | -9.87 | Crippen Calculated Property | |
| logPoct/wat | 9.376 | Crippen Calculated Property | |
| McVol | 435.530 | ml/mol | McGowan Calculated Property |
| Pc | 778.51 | kPa | Joback Calculated Property |
| Inp | [3397.00; 3397.00] |
|
|
| Inp | 3397.00 | NIST | |
| Inp | 3397.00 | NIST | |
| Tboil | 1073.79 | K | Joback Calculated Property |
| Tc | 1316.91 | K | Joback Calculated Property |
| Tfus | 651.67 | K | Joback Calculated Property |
| Vc | 1.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1762.30; 2171.49] | J/mol×K | [1073.79; 1316.91] |
|
| Cp,gas | 1762.30 | J/mol×K | 1073.79 | Joback Calculated Property |
| Cp,gas | 1817.52 | J/mol×K | 1114.31 | Joback Calculated Property |
| Cp,gas | 1877.07 | J/mol×K | 1154.83 | Joback Calculated Property |
| Cp,gas | 1941.59 | J/mol×K | 1195.35 | Joback Calculated Property |
| Cp,gas | 2011.74 | J/mol×K | 1235.87 | Joback Calculated Property |
| Cp,gas | 2088.15 | J/mol×K | 1276.39 | Joback Calculated Property |
| Cp,gas | 2171.49 | J/mol×K | 1316.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyl-24-dihydrolanosterol acetate.
Sources
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