- InChI
- InChI=1S/C31H52O2/c1-9-10-11-12-21(2)23-15-19-31(8)25-13-14-26-28(4,5)27(33-22(3)32)17-18-29(26,6)24(25)16-20-30(23,31)7/h21,23,26-27H,9-20H2,1-8H3/t21-,23?,26?,27-,29+,30+,31-/m1/s1
- InChI Key
- ZBDUOBKAXCMJNN-IDVHDOOBSA-N
- Formula
- C31H52O2
- SMILES
-
CCCCCC(C)C1CCC2(C)C3=C(CCC12C)
C1(C)CCC(OC(C)=O)C(C)(C)C1CC3 - Molecular Weight1
- 456.74
- 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 | 0.6987 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.884 | Crippen Calculated Property | |
| McVol | 407.350 | ml/mol | McGowan Calculated Property |
| Pc | 861.00 | kPa | Joback Calculated Property |
| Inp | [3243.00; 3243.00] |
|
|
| Inp | 3243.00 | NIST | |
| Inp | 3243.00 | NIST | |
| Tboil | 689.14 | K | Relay (1.0) Calculated Property |
| Tc | 971.38 | K | Relay (1.0) Calculated Property |
| Tfus | 401.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.469 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1600.03; 1954.84] | J/mol×K | [1028.91; 1265.42] |
|
| Cp,gas | 1600.03 | J/mol×K | 1028.91 | Joback Calculated Property |
| Cp,gas | 1648.38 | J/mol×K | 1068.33 | Joback Calculated Property |
| Cp,gas | 1700.27 | J/mol×K | 1107.75 | Joback Calculated Property |
| Cp,gas | 1756.26 | J/mol×K | 1147.17 | Joback Calculated Property |
| Cp,gas | 1816.97 | J/mol×K | 1186.58 | Joback Calculated Property |
| Cp,gas | 1882.96 | J/mol×K | 1226.00 | Joback Calculated Property |
| Cp,gas | 1954.84 | J/mol×K | 1265.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 31-Nor-8-lanostenol acetate.
Sources
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