- InChI
- InChI=1S/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3
- InChI Key
- SJDMTGSQPOFVLR-UHFFFAOYSA-N
- Formula
- C41H72O2
- SMILES
-
CCCCCCCCCCCCCC(=O)OC1CCC2(C)C(
=CCC3C2CCC2(C)C(C(C)CCCC(C)C)C CC32)C1 - Molecular Weight1
- 597.01
- CAS
- 1989-52-2
- Other Names
-
- Cholesterol, myristate
- Cholesteryl myristate
- Cholesteryl tetradecanoate
- Cholestryl myristate
- 5-Cholesten-3«beta»-ol myristate
- cholest-5-en-3«beta»-yl myristate
- ω : Acentric Factor.
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ω | 1.1179 | Relay (... Calculated Property | |
| ΔfG° | 224.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -936.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 71.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 174.21 | kJ/mol | Relay (... Calculated Property |
| IE | 8.86 | eV | Relay (... Calculated Property |
| log10WS | -10.86 | Relay (... Calculated Property | |
| logPoct/wat | 12.641 | Crippen Calculated Property | |
| McVol | 548.250 | ml/mol | McGowan Calculated Property |
| Pc | 508.41 | kPa | Joback Calculated Property |
| Tboil | 766.72 | K | Relay (... Calculated Property |
| Tc | 1042.63 | K | Relay (... Calculated Property |
| Tfus | 372.00 | K | Relay (... Calculated Property |
| Vc | 1.990 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2363.30; 2892.11] | J/mol×K | [1251.81; 1573.12] | 
|
| Cp,gas | 2363.30 | J/mol×K | 1251.81 | Joback Calculated Property |
| Cp,gas | 2434.24 | J/mol×K | 1305.36 | Joback Calculated Property |
| Cp,gas | 2510.64 | J/mol×K | 1358.91 | Joback Calculated Property |
| Cp,gas | 2593.57 | J/mol×K | 1412.46 | Joback Calculated Property |
| Cp,gas | 2684.08 | J/mol×K | 1466.01 | Joback Calculated Property |
| Cp,gas | 2783.24 | J/mol×K | 1519.56 | Joback Calculated Property |
| Cp,gas | 2892.11 | J/mol×K | 1573.12 | Joback Calculated Property |
| ΔfusH | 46.69 | kJ/mol | 346.80 | NIST |
| ΔfusS | 134.60 | J/mol×K | 346.80 | NIST |
Similar Compounds
Find more compounds similar to Cholest-5-en-3-ol (3«beta»)-, tetradecanoate.
Sources
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