- InChI
- InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3/t20?,22-,23?,24?,25?,26?,27?,28?/m1/s1
- InChI Key
- INDVLXYUCBVVKW-DMFCSKGGSA-N
- Formula
- C28H46O
- SMILES
-
C=C(CCC(C)C1CCC2C3CC=C4CC(O)CC
C4(C)C3CCC12C)C(C)C - Molecular Weight1
- 398.66
- CAS
- 474-63-5
- Other Names
-
- Ergosta-5,24(28)-dien-3«beta»-ol
- Chalinasterol
- Cholesterol, 24-methylene-
- Ostreasterol
- 24-Methylenecholesterol
- 24-Methylencholesterol
- 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° | 291.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.47 | kJ/mol | Joback Calculated Property |
| log10WS | -8.27 | Crippen Calculated Property | |
| logPoct/wat | 7.555 | Crippen Calculated Property | |
| McVol | 359.210 | ml/mol | McGowan Calculated Property |
| Pc | 1044.62 | kPa | Joback Calculated Property |
| Inp | [3095.00; 3155.00] |
|
|
| Inp | 3108.00 | NIST | |
| Inp | 3117.00 | NIST | |
| Inp | 3135.00 | NIST | |
| Inp | 3095.00 | NIST | |
| Inp | 3121.00 | NIST | |
| Inp | 3108.00 | NIST | |
| Inp | 3136.00 | NIST | |
| Inp | 3133.00 | NIST | |
| Inp | 3108.00 | NIST | |
| Inp | 3117.00 | NIST | |
| Inp | 3135.00 | NIST | |
| Inp | 3155.00 | NIST | |
| Inp | 3155.00 | NIST | |
| Inp | 3108.00 | NIST | |
| Inp | 3135.00 | NIST | |
| Tboil | 966.82 | K | Joback Calculated Property |
| Tc | 1191.30 | K | Joback Calculated Property |
| Tfus | 522.94 | K | Joback Calculated Property |
| Vc | 1.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1355.32; 1559.99] | J/mol×K | [966.82; 1191.30] |
|
| Cp,gas | 1355.32 | J/mol×K | 966.82 | Joback Calculated Property |
| Cp,gas | 1386.54 | J/mol×K | 1004.23 | Joback Calculated Property |
| Cp,gas | 1418.47 | J/mol×K | 1041.65 | Joback Calculated Property |
| Cp,gas | 1451.43 | J/mol×K | 1079.06 | Joback Calculated Property |
| Cp,gas | 1485.78 | J/mol×K | 1116.48 | Joback Calculated Property |
| Cp,gas | 1521.85 | J/mol×K | 1153.89 | Joback Calculated Property |
| Cp,gas | 1559.99 | J/mol×K | 1191.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ergosta-5,24(28)-dien-3-ol, (3«beta»)-.
Sources
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