- InChI
- InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-13,15,17,20-21H,3-11H2,1-2H3/t12-,13-,15?,17?,18?,19?/m1/s1
- InChI Key
- MHRBIDJSVFENIX-TWYPGWQISA-N
- Formula
- C19H30O2
- SMILES
-
CC12CCC(O)CC1CCC1=C2CCC2(C)C(O
)CCC12 - Molecular Weight1
- 290.44
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 2.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.45 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 3.815 | Crippen Calculated Property | |
| McVol | 242.570 | ml/mol | McGowan Calculated Property |
| Pc | 2098.42 | kPa | Joback Calculated Property |
| Inp | [2608.00; 2608.00] |
|
|
| Inp | 2608.00 | NIST | |
| Inp | 2608.00 | NIST | |
| Tboil | 867.05 | K | Joback Calculated Property |
| Tc | 1084.05 | K | Joback Calculated Property |
| Tfus | 544.81 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [872.02; 1014.46] | J/mol×K | [867.05; 1084.05] |
|
| Cp,gas | 872.02 | J/mol×K | 867.05 | Joback Calculated Property |
| Cp,gas | 894.06 | J/mol×K | 903.22 | Joback Calculated Property |
| Cp,gas | 916.42 | J/mol×K | 939.38 | Joback Calculated Property |
| Cp,gas | 939.36 | J/mol×K | 975.55 | Joback Calculated Property |
| Cp,gas | 963.16 | J/mol×K | 1011.71 | Joback Calculated Property |
| Cp,gas | 988.10 | J/mol×K | 1047.88 | Joback Calculated Property |
| Cp,gas | 1014.46 | J/mol×K | 1084.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-Dehydro DHEA.
Sources
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