- InChI
- InChI=1S/C28H48O/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,7-8,10-17H2,1-6H3/t19?,20?,22-,23?,24?,25?,26?,27?,28?/m1/s1
- InChI Key
- SGNBVLSWZMBQTH-JJZZAQJISA-N
- Formula
- C28H48O
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC
(O)CCC4(C)C3CCC12C - Molecular Weight1
- 400.68
- CAS
- 474-62-4
- Other Names
-
- Ergost-5-en-3-ol, (3«beta»,24R)-
- Ergost-5-en-3«beta»-ol, (24R)-
- (24R)-5-Ergosten-3«beta»-ol
- Campesterin
- 24«alpha»-Methylcholesterol
- 24«alpha»-Methyl-5-cholesten-3«beta»-ol
- (24R)-Methylcholest-5-en-3«beta»-ol
- «DELTA»5-24-Isoergosten-3«beta»-ol
- Ergost-5-en-3-ol-, (24R, 3«beta»)-
- NSC 224330
- (24R)-ergost-5-en-3«beta»-ol
- 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° | 209.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.67 | kJ/mol | Joback Calculated Property |
| log10WS | -8.18 | Crippen Calculated Property | |
| logPoct/wat | 7.635 | Crippen Calculated Property | |
| McVol | 363.510 | ml/mol | McGowan Calculated Property |
| Pc | 1018.78 | kPa | Joback Calculated Property |
| Inp | [3099.00; 3165.00] |
|
|
| Inp | 3116.00 | NIST | |
| Inp | 3131.00 | NIST | |
| Inp | 3147.00 | NIST | |
| Inp | 3105.00 | NIST | |
| Inp | 3099.00 | NIST | |
| Inp | 3138.00 | NIST | |
| Inp | 3114.00 | NIST | |
| Inp | 3150.00 | NIST | |
| Inp | 3146.00 | NIST | |
| Inp | 3116.00 | NIST | |
| Inp | 3117.00 | NIST | |
| Inp | 3135.00 | NIST | |
| Inp | 3103.00 | NIST | |
| Inp | 3103.00 | NIST | |
| Inp | 3112.00 | NIST | |
| Inp | 3165.00 | NIST | |
| Inp | 3131.00 | NIST | |
| Inp | 3131.00 | NIST | |
| Inp | 3110.00 | NIST | |
| Inp | 3165.00 | NIST | |
| Inp | 3110.00 | NIST | |
| Tboil | 969.82 | K | Joback Calculated Property |
| Tc | 1193.49 | K | Joback Calculated Property |
| Tfus | 523.66 | K | Joback Calculated Property |
| Vc | 1.371 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1386.76; 1592.18] | J/mol×K | [969.82; 1193.49] |
|
| Cp,gas | 1386.76 | J/mol×K | 969.82 | Joback Calculated Property |
| Cp,gas | 1418.35 | J/mol×K | 1007.10 | Joback Calculated Property |
| Cp,gas | 1450.56 | J/mol×K | 1044.38 | Joback Calculated Property |
| Cp,gas | 1483.71 | J/mol×K | 1081.65 | Joback Calculated Property |
| Cp,gas | 1518.15 | J/mol×K | 1118.93 | Joback Calculated Property |
| Cp,gas | 1554.19 | J/mol×K | 1156.21 | Joback Calculated Property |
| Cp,gas | 1592.18 | J/mol×K | 1193.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Campesterol.
Sources
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