- InChI
- InChI=1S/C32H52O2/c1-9-24(21(2)3)11-10-22(4)27-15-18-32(8)29-13-12-25-20-26(34-23(5)33)14-17-30(25,6)28(29)16-19-31(27,32)7/h9,13,21-22,25-28H,10-12,14-20H2,1-8H3/b24-9-/t22-,25?,26+,27-,28?,30+,31-,32?/m0/s1
- InChI Key
- UKBUAVLRSUYDBZ-XDBLEDHUSA-N
- Formula
- C32H52O2
- SMILES
-
CC=C(CCC(C)C1CCC2(C)C3=CCC4CC(
OC(C)=O)CCC4(C)C3CCC12C)C(C)C - Molecular Weight1
- 468.75
- 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 | 0.6549 | Relay (1.0) Calculated Property | |
| ΔfG° | 214.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -692.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.906 | Crippen Calculated Property | |
| McVol | 417.140 | ml/mol | McGowan Calculated Property |
| Pc | 830.98 | kPa | Joback Calculated Property |
| Inp | 3420.00 | NIST | |
| Tboil | 700.08 | K | Relay (1.0) Calculated Property |
| Tc | 983.62 | K | Relay (1.0) Calculated Property |
| Tfus | 405.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.467 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1636.59; 1958.64] | J/mol×K | [1050.17; 1290.62] | 
|
| Cp,gas | 1636.59 | J/mol×K | 1050.17 | Joback Calculated Property |
| Cp,gas | 1681.51 | J/mol×K | 1090.25 | Joback Calculated Property |
| Cp,gas | 1729.22 | J/mol×K | 1130.32 | Joback Calculated Property |
| Cp,gas | 1780.25 | J/mol×K | 1170.40 | Joback Calculated Property |
| Cp,gas | 1835.14 | J/mol×K | 1210.47 | Joback Calculated Property |
| Cp,gas | 1894.42 | J/mol×K | 1250.55 | Joback Calculated Property |
| Cp,gas | 1958.64 | J/mol×K | 1290.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Avenasterol acetate.
Sources
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