- InChI
- InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20?,21?,23-,24?,25?,26?,27?,28?,29?/m1/s1
- InChI Key
- KZJWDPNRJALLNS-YYRRVRNASA-N
- Formula
- C29H50O
- SMILES
-
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CC
C4(C)C3CCC12C)C(C)C - Molecular Weight1
- 414.71
- CAS
- 83-46-5
- Other Names
-
- (-)-«beta»-Sitosterol
- (24R)-Ethylcholest-5-en-3«beta»-ol
- (24R)-Stigmast-5-en-3«beta»-ol
- .beta.-sitosterol
- 22,23-Dihydrostigmasterol
- 24«alpha»-Ethylcholesterol
- 5-Cholesten-24«beta»-ethyl-3«beta»-ol
- Angelicin
- Angelicin (steroid)
- Azuprostat
- Cinchol
- Cupreol
- Harzol
- NSC 18173
- NSC 8096
- Nimbosterol
- Phytosterol
- Prostasal
- Quebrachol
- Rhamnol
- SKF 14463
- Sito-Lande
- Sitosterol
- Sitosterol (24«beta»-ethylcholest-5-en-3«beta»-ol)
- Sitosterol, «beta»
- Stigmast-5-en-3-ol, (3«beta»)-
- Stigmast-5-en-3«beta»-ol
- Stigmasterol, 22,23-dihydro-
- Triastonal
- stigmast-5-en-3.beta.-ol
- «DELTA»5-Stigmasten-3«beta»-ol
- «alpha»-Dihydrofucosterol
- «alpha»-Phytosterol
- «beta»-Sitosterin
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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° | 217.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.90 | kJ/mol | Joback Calculated Property |
| log10WS | -8.59 | Crippen Calculated Property | |
| logPoct/wat | 8.025 | Crippen Calculated Property | |
| McVol | 377.600 | ml/mol | McGowan Calculated Property |
| Pc | 959.10 | kPa | Joback Calculated Property |
| Inp | [3173.00; 3243.00] |
|
|
| Inp | 3201.00 | NIST | |
| Inp | 3215.00 | NIST | |
| Inp | 3197.00 | NIST | |
| Inp | Outlier 3173.00 | NIST | |
| Inp | 3228.00 | NIST | |
| Inp | 3194.00 | NIST | |
| Inp | Outlier 3243.00 | NIST | |
| Inp | 3214.00 | NIST | |
| Inp | 3201.00 | NIST | |
| Inp | 3215.00 | NIST | |
| Inp | 3230.00 | NIST | |
| Inp | 3198.00 | NIST | |
| Inp | 3199.00 | NIST | |
| Inp | 3202.00 | NIST | |
| Inp | 3203.00 | NIST | |
| Inp | 3204.00 | NIST | |
| Inp | 3203.00 | NIST | |
| Inp | 3197.00 | NIST | |
| Inp | 3187.00 | NIST | |
| Inp | 3203.00 | NIST | |
| Inp | 3220.00 | NIST | |
| Inp | 3220.00 | NIST | |
| Inp | 3193.00 | NIST | |
| Inp | 3193.00 | NIST | |
| Tboil | 992.70 | K | Joback Calculated Property |
| Tc | 1218.50 | K | Joback Calculated Property |
| Tfus | 534.93 | K | Joback Calculated Property |
| Vc | 1.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1457.53; 1674.54] | J/mol×K | [992.70; 1218.50] |
|
| Cp,gas | 1457.53 | J/mol×K | 992.70 | Joback Calculated Property |
| Cp,gas | 1490.57 | J/mol×K | 1030.33 | Joback Calculated Property |
| Cp,gas | 1524.41 | J/mol×K | 1067.97 | Joback Calculated Property |
| Cp,gas | 1559.38 | J/mol×K | 1105.60 | Joback Calculated Property |
| Cp,gas | 1595.82 | J/mol×K | 1143.23 | Joback Calculated Property |
| Cp,gas | 1634.10 | J/mol×K | 1180.87 | Joback Calculated Property |
| Cp,gas | 1674.54 | J/mol×K | 1218.50 | Joback Calculated Property |
| ΔsubH | 143.80 ± 0.50 | kJ/mol | 399.50 | NIST |
Similar Compounds
Find more compounds similar to «beta»-Sitosterol.
Mixtures
- «beta»-Sitosterol + Methyl Alcohol
- «beta»-Sitosterol + Ethanol
- «beta»-Sitosterol + Acetone
- «beta»-Sitosterol + Ethyl Acetate
- n-Hexane + «beta»-Sitosterol
Sources
- Crippen Method
- Crippen Method
- ss-Sitosterol Solubility in Selected Organic Solvents
- Joback Method
- McGowan Method
- NIST Webbook
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Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.