- InChI
- InChI=1S/C33H54O2/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,3,11-20H2,1-2,4-10H3
- InChI Key
- XJAUCFFDVQSSEW-UHFFFAOYSA-N
- Formula
- C33H54O2
- SMILES
-
C=C(CCC(C)C1CCC2(C)C3=C(CCC12C
)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3 )C(C)C - Molecular Weight1
- 482.78
- CAS
- 17837-80-8
- 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 | 0.6686 | Relay (1.0) Calculated Property | |
| ΔfG° | 215.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.296 | Crippen Calculated Property | |
| McVol | 431.230 | ml/mol | McGowan Calculated Property |
| Pc | 795.73 | kPa | Joback Calculated Property |
| Inp | 3391.00 | NIST | |
| Tboil | 710.27 | K | Relay (1.0) Calculated Property |
| Tc | 984.18 | K | Relay (1.0) Calculated Property |
| Tfus | 411.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1728.47; 2137.28] | J/mol×K | [1070.79; 1314.23] | 
|
| Cp,gas | 1728.47 | J/mol×K | 1070.79 | Joback Calculated Property |
| Cp,gas | 1783.32 | J/mol×K | 1111.36 | Joback Calculated Property |
| Cp,gas | 1842.61 | J/mol×K | 1151.94 | Joback Calculated Property |
| Cp,gas | 1906.99 | J/mol×K | 1192.51 | Joback Calculated Property |
| Cp,gas | 1977.12 | J/mol×K | 1233.09 | Joback Calculated Property |
| Cp,gas | 2053.66 | J/mol×K | 1273.66 | Joback Calculated Property |
| Cp,gas | 2137.28 | J/mol×K | 1314.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methylene-24-dihydrolanosterol acetate.
Sources
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