- InChI
- InChI=1S/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3/t30-,32+,33+,34-,35+,36+,38+,39-/m0/s1
- InChI Key
- RMLFYKFCGMSLTB-GKWGNEOISA-N
- Formula
- C39H68O2
- SMILES
-
CCCCCCCCCCCC(=O)OC1CCC2(C)C(=C
CC3C2CCC2(C)C(C(C)CCCC(C)C)CCC 32)C1 - Molecular Weight1
- 568.96
- CAS
- 1908-11-8
- Other Names
-
- 5-Cholesten-3«beta»-ol laurate
- Cholesterol laurate
- Cholest-5-en-3-ol (3«beta»)-, dodecanoate
- Cholest-5-en-3«beta»-ol dodecanoate
- Cholesteryl dodecanoate
- Dodecanoic acid, cholesteryl ester
- 3«beta»-Dodecanoyloxycholest-5-ene
- cholest-5-en-3-«beta»-yl laurate
- 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).
- 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° | 207.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -827.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.02 | kJ/mol | Joback Calculated Property |
| log10WS | -12.62 | Crippen Calculated Property | |
| logPoct/wat | 11.861 | Crippen Calculated Property | |
| McVol | 520.070 | ml/mol | McGowan Calculated Property |
| Pc | 555.46 | kPa | Joback Calculated Property |
| Tboil | 1206.05 | K | Joback Calculated Property |
| Tc | 1497.65 | K | Joback Calculated Property |
| Tfus | 364.00 ± 0.50 | K | NIST |
| Vc | 1.998 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2195.39; 2622.91] | J/mol×K | [1206.05; 1497.65] | 
|
| Cp,gas | 2195.39 | J/mol×K | 1206.05 | Joback Calculated Property |
| Cp,gas | 2254.64 | J/mol×K | 1254.65 | Joback Calculated Property |
| Cp,gas | 2317.66 | J/mol×K | 1303.25 | Joback Calculated Property |
| Cp,gas | 2385.22 | J/mol×K | 1351.85 | Joback Calculated Property |
| Cp,gas | 2458.09 | J/mol×K | 1400.45 | Joback Calculated Property |
| Cp,gas | 2537.07 | J/mol×K | 1449.05 | Joback Calculated Property |
| Cp,gas | 2622.91 | J/mol×K | 1497.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesteryl laurate.
Sources
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