- InChI
- InChI=1S/C33H54O2/c1-10-24(11-2)13-12-22(3)25-16-20-33(9)27-14-15-28-30(5,6)29(35-23(4)34)18-19-31(28,7)26(27)17-21-32(25,33)8/h10,22,25,28-29H,11-21H2,1-9H3/b24-10+/t22-,25?,28?,29-,31+,32+,33-/m1/s1
- InChI Key
- PTEZIKVWECIONK-RGVKLLQESA-N
- Formula
- C33H54O2
- SMILES
-
CC=C(CC)CCC(C)C1CCC2(C)C3=C(CC
C12C)C1(C)CCC(OC(C)=O)C(C)(C)C 1CC3 - Molecular Weight1
- 482.78
- 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 | 0.6754 | Relay (1.0) Calculated Property | |
| ΔfG° | 210.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -692.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.440 | Crippen Calculated Property | |
| McVol | 431.230 | ml/mol | McGowan Calculated Property |
| Pc | 796.63 | kPa | Joback Calculated Property |
| Inp | [3399.00; 3399.00] |
|
|
| Inp | 3399.00 | NIST | |
| Inp | 3399.00 | NIST | |
| Tboil | 706.06 | K | Relay (1.0) Calculated Property |
| Tc | 988.46 | K | Relay (1.0) Calculated Property |
| Tfus | 405.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.527 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1737.28; 2162.42] | J/mol×K | [1078.71; 1323.38] |
|
| Cp,gas | 1737.28 | J/mol×K | 1078.71 | Joback Calculated Property |
| Cp,gas | 1793.96 | J/mol×K | 1119.49 | Joback Calculated Property |
| Cp,gas | 1855.41 | J/mol×K | 1160.27 | Joback Calculated Property |
| Cp,gas | 1922.30 | J/mol×K | 1201.05 | Joback Calculated Property |
| Cp,gas | 1995.31 | J/mol×K | 1241.82 | Joback Calculated Property |
| Cp,gas | 2075.12 | J/mol×K | 1282.60 | Joback Calculated Property |
| Cp,gas | 2162.42 | J/mol×K | 1323.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Ethyl-31-nor-8,25-lanostadienol acetate.
Sources
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