![1H-Cyclopenta[a]phenanthrene, 17-(1,5-dimethylhexyl)hexadecahydro-4,4,10,13,14-pentamethyl-, [5S-[5«alpha»,8«beta»,9«alpha»,10«beta»,13«beta»,14«alpha»,17«beta»(S*)]]-](/cid/62-547-6/1H-Cyclopenta-a-phenanthrene-17-1-5-dimethylhexyl-hexadecahydro-4-4-10-13-14-pentamethyl-5S-5-alpha-8-beta-9-alpha-10-beta-13-beta-14-alpha-17-beta-S.png "1H-Cyclopenta[a]phenanthrene, 17-(1,5-dimethylhexyl)hexadecahydro-4,4,10,13,14-pentamethyl-, [5S-[5«alpha»,8«beta»,9«alpha»,10«beta»,13«beta»,14«alpha»,17«beta»(S*)]]-")
- InChI
- InChI=1S/C30H54/c1-21(2)11-9-12-22(3)23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7/h21-26H,9-20H2,1-8H3
- InChI Key
- ZQIOPEXWVBIZAV-UHFFFAOYSA-N
- Formula
- C30H54
- SMILES
-
CC(C)CCCC(C)C1CCC2(C)C3CCC4C(C
)(C)CCCC4(C)C3CCC12C - Molecular Weight1
- 414.75
- CAS
- 474-20-4
- Other Names
-
- Lanostane
- Cholestane, 4,4,14-trimethyl-, (5«alpha»)-
- 28-Noreburicane
- 4,4,14«alpha»-Trimethylcholestane
- 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 | 0.6005 | Relay (... Calculated Property | |
| ΔfG° | 326.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.15 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -8.90 | Relay (... Calculated Property | |
| logPoct/wat | 9.524 | Crippen Calculated Property | |
| McVol | 390.120 | ml/mol | McGowan Calculated Property |
| Pc | 870.68 | kPa | Joback Calculated Property |
| Inp | [3027.00; 3027.00] |
|
|
| Inp | 3027.00 | NIST | |
| Inp | 3027.00 | NIST | |
| Tboil | 677.70 | K | Relay (... Calculated Property |
| Tc | 942.60 | K | Relay (... Calculated Property |
| Tfus | 394.46 | K | Relay (... Calculated Property |
| Vc | 1.430 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1459.47; 1738.37] | J/mol×K | [915.51; 1142.56] |
|
| Cp,gas | 1459.47 | J/mol×K | 915.51 | Joback Calculated Property |
| Cp,gas | 1499.78 | J/mol×K | 953.35 | Joback Calculated Property |
| Cp,gas | 1541.84 | J/mol×K | 991.19 | Joback Calculated Property |
| Cp,gas | 1586.18 | J/mol×K | 1029.03 | Joback Calculated Property |
| Cp,gas | 1633.35 | J/mol×K | 1066.88 | Joback Calculated Property |
| Cp,gas | 1683.90 | J/mol×K | 1104.72 | Joback Calculated Property |
| Cp,gas | 1738.37 | J/mol×K | 1142.56 | Joback Calculated Property |
Similar Compounds
Sources
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