- InChI
- InChI=1S/C32H56O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h21-22,24-28H,10-20H2,1-9H3
- InChI Key
- GBJJVPUZVRPWOZ-UHFFFAOYSA-N
- Formula
- C32H56O2
- SMILES
-
CC(=O)OC1CCC2(C)C3CCC4(C)C(C(C
)CCCC(C)C)CCC4(C)C3CCC2C1(C)C - Molecular Weight1
- 472.79
- Other Names
-
- Cl4502
- Lanostanol acetate
- 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 | 0.7179 | Relay (1.0) Calculated Property | |
| ΔfG° | 101.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -793.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.066 | Crippen Calculated Property | |
| McVol | 425.740 | ml/mol | McGowan Calculated Property |
| Pc | 785.51 | kPa | Joback Calculated Property |
| Inp | [3393.00; 3393.00] |
|
|
| Inp | 3393.00 | NIST | |
| Inp | 3393.00 | NIST | |
| Tboil | 696.97 | K | Relay (1.0) Calculated Property |
| Tc | 984.88 | K | Relay (1.0) Calculated Property |
| Tfus | 409.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.537 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1708.73; 2067.96] | J/mol×K | [1032.89; 1268.99] |
|
| Cp,gas | 1708.73 | J/mol×K | 1032.89 | Joback Calculated Property |
| Cp,gas | 1758.43 | J/mol×K | 1072.24 | Joback Calculated Property |
| Cp,gas | 1811.41 | J/mol×K | 1111.59 | Joback Calculated Property |
| Cp,gas | 1868.27 | J/mol×K | 1150.94 | Joback Calculated Property |
| Cp,gas | 1929.59 | J/mol×K | 1190.29 | Joback Calculated Property |
| Cp,gas | 1995.96 | J/mol×K | 1229.64 | Joback Calculated Property |
| Cp,gas | 2067.96 | J/mol×K | 1268.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lanostan-3-yl acetate.
Sources
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