- InChI
- InChI=1S/C28H50O/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h19-26H,7-18H2,1-6H3
- InChI Key
- FMSSVYNONQQPON-UHFFFAOYSA-N
- Formula
- C28H50O
- SMILES
-
COC1CCC2(C)C(CCC3C2CCC2(C)C(C(
C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 402.70
- Other Names
-
- (3«beta»,5«beta»)-3-Methoxycholestane
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6083 | Relay (... Calculated Property | |
| ΔfG° | 215.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.47 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -8.01 | Relay (... Calculated Property | |
| logPoct/wat | 8.123 | Crippen Calculated Property | |
| McVol | 367.810 | ml/mol | McGowan Calculated Property |
| Pc | 916.05 | kPa | Joback Calculated Property |
| Inp | [3090.60; 3090.60] |
|
|
| Inp | 3090.60 | NIST | |
| Inp | 3090.60 | NIST | |
| Tboil | 686.45 | K | Relay (... Calculated Property |
| Tc | 945.35 | K | Relay (... Calculated Property |
| Tfus | 365.52 | K | Relay (... Calculated Property |
| Vc | 1.328 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1359.10; 1551.26] | J/mol×K | [891.69; 1111.27] |
|
| Cp,gas | 1359.10 | J/mol×K | 891.69 | Joback Calculated Property |
| Cp,gas | 1390.88 | J/mol×K | 928.29 | Joback Calculated Property |
| Cp,gas | 1422.38 | J/mol×K | 964.88 | Joback Calculated Property |
| Cp,gas | 1453.87 | J/mol×K | 1001.48 | Joback Calculated Property |
| Cp,gas | 1485.65 | J/mol×K | 1038.08 | Joback Calculated Property |
| Cp,gas | 1518.02 | J/mol×K | 1074.67 | Joback Calculated Property |
| Cp,gas | 1551.26 | J/mol×K | 1111.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Coprostan-3-ol, methyl ether.
Sources
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