- InChI
- InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19?,21-,22?,23?,24?,25?,26?,27?/m1/s1
- InChI Key
- HVYWMOMLDIMFJA-VUDDDUNTSA-N
- Formula
- C27H46O
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)
CCC4(C)C3CCC12C - Molecular Weight1
- 386.65
- CAS
- 57-88-5
- Other Names
-
- (-)-cholesterol
- (3.beta.)-cholest-5-en-3-ol
- (3«beta»)-Cholest-5-en-3-ol
- .DELTA.5-cholesten-3.beta.-ol
- 3.beta.-hydroxycholest-5-ene
- 3«beta»-Hydroxycholest-5-ene
- 5,6-Cholesten-3«beta»-ol
- 5-Cholesten-3B-ol
- 5-Cholesten-3«beta»-ol
- 5-cholesten-3.beta.-ol
- 5:6-cholesten-3.beta.-ol
- Cholest-5-en-3-ol
- Cholest-5-en-3-ol (3«beta»)-
- Cholest-5-en-3b-ol
- Cholest-5-en-3beta-ol
- Cholest-5-en-3«beta»-ol
- Cholesterine
- Cholesterol base H
- Cholestrin
- Cholestrol
- Cordulan
- Dastar
- Dusoline
- Dusoran
- Dythol
- Fancol CH
- Hydrocerin
- Kathro
- Lanol
- Lidinite
- NSC 8798
- Nimco cholesterol base H
- Nimco cholesterol base No. 712
- Provitamin D
- Super hartolan
- Tegolan
- Wool alcohols B. P.
- cholest-5-en-3-ol, (3.beta.)-
- cholest-5-en-3.beta.-ol
- cholesterin
- cholesteryl alcohol
- «DELTA»5-Cholesten-3-«beta»-ol
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | [-16590.00; -16524.00] | kJ/mol |
|
| ΔcH°solid | -16524.00 ± 3.90 | kJ/mol | NIST |
| ΔcH°solid | -16590.00 ± 67.00 | kJ/mol | NIST |
| ΔfH°solid | -674.80 ± 4.10 | kJ/mol | NIST |
| ΔfusH° | [28.50; 148.00] | kJ/mol |
|
| ΔfusH° | 28.50 | kJ/mol | Solubilities of cholesterol and desmosterol in binary solvent mixtures of n-hexane + ethanol |
| ΔfusH° | 148.00 | kJ/mol | Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography |
| ΔsubH° | 114.60 | kJ/mol | NIST |
| ΔvapH° | 153.70 ± 0.80 | kJ/mol | NIST |
| log10WS | -7.00 | Aq. Solubility Prediction | |
| logPoct/wat | 7.389 | Crippen Calculated Property | |
| McVol | 349.420 | ml/mol | McGowan Calculated Property |
| Inp | [3004.00; 3100.00] |
|
|
| Inp | 3020.00 | NIST | |
| Inp | 3034.00 | NIST | |
| Inp | 3051.00 | NIST | |
| Inp | 3043.00 | NIST | |
| Inp | 3023.00 | NIST | |
| Inp | 3053.00 | NIST | |
| Inp | 3044.00 | NIST | |
| Inp | 3068.00 | NIST | |
| Inp | 3093.00 | NIST | |
| Inp | 3020.00 | NIST | |
| Inp | 3034.00 | NIST | |
| Inp | 3051.00 | NIST | |
| Inp | 3071.00 | NIST | |
| Inp | 3005.00 | NIST | |
| Inp | 3008.00 | NIST | |
| Inp | 3090.00 | NIST | |
| Inp | 3075.00 | NIST | |
| Inp | 3004.00 | NIST | |
| Inp | 3081.00 | NIST | |
| Inp | 3081.00 | NIST | |
| Inp | 3041.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Inp | 3100.00 | NIST | |
| Inp | 3098.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Inp | 3098.00 | NIST | |
| Inp | 3093.00 | NIST | |
| Inp | 3041.00 | NIST | |
| Inp | 3008.00 | NIST | |
| Inp | 3020.00 | NIST | |
| Inp | 3086.00 | NIST | |
| Inp | 3020.00 | NIST | |
| Inp | 3053.00 | NIST | |
| Inp | 3034.00 | NIST | |
| Inp | 3100.00 | NIST | |
| Inp | 3098.00 | NIST | |
| Inp | 3086.00 | NIST | |
| Tboil | 633.20 | K | NIST |
| Tfus | [417.90; 421.15] | K |
|
| Tfus | 421.15 | K | Experimental solid-liquid phase equilibria of {cholesterol + binary solvent mixture: 1-Alcohol (C4-C10) + cyclohexane} |
| Tfus | 421.00 | K | Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol, |
| Tfus | 417.90 | K | Aq. Solubility Prediction |
| Tfus | 420.20 ± 0.50 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1317.05; 1511.59] | J/mol×K | [947.58; 1168.48] |
|
| Cp,gas | 1317.05 | J/mol×K | 947.58 | Joback Calculated Property |
| Cp,gas | 1347.25 | J/mol×K | 984.40 | Joback Calculated Property |
| Cp,gas | 1377.92 | J/mol×K | 1021.21 | Joback Calculated Property |
| Cp,gas | 1409.37 | J/mol×K | 1058.03 | Joback Calculated Property |
| Cp,gas | 1441.92 | J/mol×K | 1094.84 | Joback Calculated Property |
| Cp,gas | 1475.89 | J/mol×K | 1131.66 | Joback Calculated Property |
| Cp,gas | 1511.59 | J/mol×K | 1168.48 | Joback Calculated Property |
| ΔfusH | [21.11; 28.50] | kJ/mol | [370.00; 423.20] |
|
| ΔfusH | 25.10 | kJ/mol | 370.00 | NIST |
| ΔfusH | 27.41 | kJ/mol | 420.20 | NIST |
| ΔfusH | 28.50 | kJ/mol | 421.70 | NIST |
| ΔfusH | 28.40 | kJ/mol | 422.30 | NIST |
| ΔfusH | 26.50 | kJ/mol | 422.50 | NIST |
| ΔfusH | 21.11 | kJ/mol | 423.20 | NIST |
| ΔsubH | 142.50 ± 0.90 | kJ/mol | 400.00 | NIST |
| ΔvapH | 114.90 | kJ/mol | 429.00 | NIST |
Similar Compounds
Find more compounds similar to Cholesterol.
Mixtures
- 1-Octanol + Cholesterol
- Cholesterol + 1-Decanol
- Cholesterol + 1-Pentanol
- Cholesterol + 1-Hexanol
- 1-Butanol + Cholesterol
- Cholesterol + 1-Pentanol + Cyclohexane
- Cholesterol + 1-Hexanol + Cyclohexane
- 1-Octanol + Cholesterol + Cyclohexane
- 1-Butanol + Cholesterol + Cyclohexane
- Cholesterol + 1-Decanol + Cyclohexane
- n-Hexane + Ethanol + Cholesterol
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Solubilities of cholesterol and desmosterol in binary solvent mixtures of n-hexane + ethanol
- Experimental solid-liquid phase equilibria of {cholesterol + binary solvent mixture: 1-Alcohol (C4-C10) + cyclohexane}
- Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
- Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol,
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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