- InChI
- InChI=1S/C31H54O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h20-21,23-29H,8-19H2,1-7H3/t21?,23?,24-,25?,26?,27?,28?,29?,30?,31?/m0/s1
- InChI Key
- UOLJGJFAVGOXAH-BPKVECHYSA-N
- Formula
- C31H54O2
- SMILES
-
CCC(CCC(C)C1CCC2C3CCC4CC(OC(C)
=O)CCC4(C)C3CCC12C)C(C)C - Molecular Weight1
- 458.76
- 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 | 0.7173 | Relay (1.0) Calculated Property | |
| ΔfG° | 109.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -813.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.675 | Crippen Calculated Property | |
| McVol | 411.650 | ml/mol | McGowan Calculated Property |
| Pc | 806.62 | kPa | Joback Calculated Property |
| Inp | [3303.00; 3303.00] |
|
|
| Inp | 3303.00 | NIST | |
| Inp | 3303.00 | NIST | |
| Tboil | 704.47 | K | Relay (1.0) Calculated Property |
| Tc | 985.41 | K | Relay (1.0) Calculated Property |
| Tfus | 384.73 | 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 | [1609.44; 1836.91] | J/mol×K | [1013.76; 1245.17] |
|
| Cp,gas | 1609.44 | J/mol×K | 1013.76 | Joback Calculated Property |
| Cp,gas | 1644.72 | J/mol×K | 1052.33 | Joback Calculated Property |
| Cp,gas | 1680.59 | J/mol×K | 1090.90 | Joback Calculated Property |
| Cp,gas | 1717.39 | J/mol×K | 1129.46 | Joback Calculated Property |
| Cp,gas | 1755.47 | J/mol×K | 1168.03 | Joback Calculated Property |
| Cp,gas | 1795.20 | J/mol×K | 1206.60 | Joback Calculated Property |
| Cp,gas | 1836.91 | J/mol×K | 1245.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Ethylcoprostanol acetate.
Sources
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