- InChI
- InChI=1S/C20H24O5/c1-10-8-19-9-11(10)4-5-12(19)20-7-6-13(21)18(2,17(23)25-20)15(20)14(19)16(22)24-3/h5,11,13-15,21H,1,4,6-9H2,2-3H3/t11?,13-,14+,15+,18+,19-,20+/m1/s1
- InChI Key
- CSOGGDRRRLWUTQ-FNAXEMECSA-N
- Formula
- C20H24O5
- SMILES
-
C=C1CC23CC1CC=C2C12CCC(O)C(C)(
C(=O)O1)C2C3C(=O)OC - Molecular Weight1
- 344.40
- 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 | 0.6008 | Relay (... Calculated Property | |
| ΔfG° | -140.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.89 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.86 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -2.91 | Relay (... Calculated Property | |
| logPoct/wat | 2.145 | Crippen Calculated Property | |
| McVol | 250.510 | ml/mol | McGowan Calculated Property |
| Pc | 2133.46 | kPa | Joback Calculated Property |
| Inp | [2492.00; 2494.00] |
|
|
| Inp | 2492.00 | NIST | |
| Inp | 2494.00 | NIST | |
| Inp | 2492.00 | NIST | |
| Tboil | 643.52 | K | Relay (... Calculated Property |
| Tc | 961.61 | K | Relay (... Calculated Property |
| Tfus | 427.30 | K | Relay (... Calculated Property |
| Vc | 0.926 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [935.80; 1157.46] | J/mol×K | [957.16; 1195.70] |
|
| Cp,gas | 935.80 | J/mol×K | 957.16 | Joback Calculated Property |
| Cp,gas | 964.93 | J/mol×K | 996.92 | Joback Calculated Property |
| Cp,gas | 996.55 | J/mol×K | 1036.67 | Joback Calculated Property |
| Cp,gas | 1031.13 | J/mol×K | 1076.43 | Joback Calculated Property |
| Cp,gas | 1069.16 | J/mol×K | 1116.19 | Joback Calculated Property |
| Cp,gas | 1111.10 | J/mol×K | 1155.95 | Joback Calculated Property |
| Cp,gas | 1157.46 | J/mol×K | 1195.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9,11-didehydro GA4.
Sources
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