- InChI
- InChI=1S/C22H36O3/c1-15(9-13-24-16(2)23)17-14-19-21(5)11-7-10-20(3,4)18(21)8-12-22(19,6)25-17/h9,17-19H,7-8,10-14H2,1-6H3/b15-9-/t17?,18-,19?,21-,22+/m1/s1
- InChI Key
- XJXXRCYCZWSCRN-WSFUHMCBSA-N
- Formula
- C22H36O3
- SMILES
-
CC(=O)OCC=C(C)C1CC2C(C)(CCC3C(
C)(C)CCCC32C)O1 - Molecular Weight1
- 348.52
- 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° | -19.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -588.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 5.286 | Crippen Calculated Property | |
| McVol | 297.270 | ml/mol | McGowan Calculated Property |
| Pc | 1361.64 | kPa | Joback Calculated Property |
| Inp | [2787.00; 2787.00] |
|
|
| Inp | 2787.00 | NIST | |
| Inp | 2787.00 | NIST | |
| Tboil | 834.05 | K | Joback Calculated Property |
| Tc | 1063.58 | K | Joback Calculated Property |
| Tfus | 516.11 | K | Joback Calculated Property |
| Vc | 1.123 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1012.54; 1194.46] | J/mol×K | [834.05; 1063.58] |
|
| Cp,gas | 1012.54 | J/mol×K | 834.05 | Joback Calculated Property |
| Cp,gas | 1040.35 | J/mol×K | 872.31 | Joback Calculated Property |
| Cp,gas | 1068.62 | J/mol×K | 910.56 | Joback Calculated Property |
| Cp,gas | 1097.76 | J/mol×K | 948.82 | Joback Calculated Property |
| Cp,gas | 1128.17 | J/mol×K | 987.07 | Joback Calculated Property |
| Cp,gas | 1160.27 | J/mol×K | 1025.33 | Joback Calculated Property |
| Cp,gas | 1194.46 | J/mol×K | 1063.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16-Acetoxycarterochaetol.
Sources
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