- InChI
- InChI=1S/C26H40O5/c1-23-8-9-26(30-12-13-31-26)15-18(23)4-5-19-20(23)6-7-24(2)21(19)14-17(16-27)22(24)25(3)28-10-11-29-25/h4,17,19-22,27H,5-16H2,1-3H3
- InChI Key
- SQUUQRMCBJCKEJ-UHFFFAOYSA-N
- Formula
- C26H40O5
- SMILES
-
CC1(C2C(CO)CC3C4CC=C5CC6(CCC5(
C)C4CCC32C)OCCO6)OCCO1 - Molecular Weight1
- 432.59
- CAS
- 103189-18-0
- 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).
- 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 | 0.7226 | Relay (1.0) Calculated Property | |
| ΔfG° | -70.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 150.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.290 | Crippen Calculated Property | |
| McVol | 337.090 | ml/mol | McGowan Calculated Property |
| Pc | 1506.98 | kPa | Joback Calculated Property |
| Tboil | 725.11 | K | Relay (1.0) Calculated Property |
| Tc | 1035.97 | K | Relay (1.0) Calculated Property |
| Tfus | 421.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.302 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1431.60; 1838.45] | J/mol×K | [1059.95; 1313.02] | 
|
| Cp,gas | 1431.60 | J/mol×K | 1059.95 | Joback Calculated Property |
| Cp,gas | 1483.71 | J/mol×K | 1102.13 | Joback Calculated Property |
| Cp,gas | 1541.07 | J/mol×K | 1144.31 | Joback Calculated Property |
| Cp,gas | 1604.45 | J/mol×K | 1186.49 | Joback Calculated Property |
| Cp,gas | 1674.62 | J/mol×K | 1228.66 | Joback Calculated Property |
| Cp,gas | 1752.37 | J/mol×K | 1270.84 | Joback Calculated Property |
| Cp,gas | 1838.45 | J/mol×K | 1313.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,20-Bisethylenedioxy-16alpha-hydroxymethyl-5-pregnene.
Sources
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