- InChI
- InChI=1S/C22H30O5/c1-13(2)22(25)10-9-20(3)12-17-21(4,27-17)11-16(18(20)22)26-19(24)14-5-7-15(23)8-6-14/h5-8,13,16-18,23,25H,9-12H2,1-4H3/t16-,17-,18+,20-,21+,22+/m1/s1
- InChI Key
- NZRACXOBLXBSFK-ORHJNQCKSA-N
- Formula
- C22H30O5
- SMILES
-
CC(C)C1(O)CCC2(C)CC3OC3(C)CC(O
C(=O)c3ccc(O)cc3)C21 - Molecular Weight1
- 374.47
- 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° | -248.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.88 | Crippen Calculated Property | |
| logPoct/wat | 3.672 | Crippen Calculated Property | |
| McVol | 289.550 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | [2826.00; 2826.00] |
|
|
| Inp | 2826.00 | NIST | |
| Inp | 2826.00 | NIST | |
| Tboil | 1020.51 | K | Joback Calculated Property |
| Tc | 1263.77 | K | Joback Calculated Property |
| Tfus | 726.15 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1106.50; 1390.28] | J/mol×K | [1020.51; 1263.77] |
|
| Cp,gas | 1106.50 | J/mol×K | 1020.51 | Joback Calculated Property |
| Cp,gas | 1143.02 | J/mol×K | 1061.05 | Joback Calculated Property |
| Cp,gas | 1183.10 | J/mol×K | 1101.60 | Joback Calculated Property |
| Cp,gas | 1227.32 | J/mol×K | 1142.14 | Joback Calculated Property |
| Cp,gas | 1276.21 | J/mol×K | 1182.68 | Joback Calculated Property |
| Cp,gas | 1330.35 | J/mol×K | 1223.23 | Joback Calculated Property |
| Cp,gas | 1390.28 | J/mol×K | 1263.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Jaeschkeanin.
Sources
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