- InChI
- InChI=1S/C17H28O2/c1-13(2)8-7-9-15(5)10-11-17(14(3)4)12-19-16(6)18/h8,10,17H,3,7,9,11-12H2,1-2,4-6H3/b15-10+
- InChI Key
- WKGRFMQERVPGIC-XNTDXEJSSA-N
- Formula
- C17H28O2
- SMILES
-
C=C(C)C(CC=C(C)CCC=C(C)C)COC(C
)=O - Molecular Weight1
- 264.40
- 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.
- I : 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° | 78.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.69 | kJ/mol | Joback Calculated Property |
| log10WS | -5.12 | Crippen Calculated Property | |
| logPoct/wat | 4.825 | Crippen Calculated Property | |
| McVol | 244.930 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | [1735.00; 1809.00] |
|
|
| Inp | 1735.00 | NIST | |
| Inp | 1809.00 | NIST | |
| Inp | 1809.00 | NIST | |
| Inp | 1735.00 | NIST | |
| I | [2100.00; 2100.00] |
|
|
| I | 2100.00 | NIST | |
| I | 2100.00 | NIST | |
| Tboil | 668.85 | K | Joback Calculated Property |
| Tc | 857.99 | K | Joback Calculated Property |
| Tfus | 284.71 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.44; 759.78] | J/mol×K | [668.85; 857.99] |
|
| Cp,gas | 665.44 | J/mol×K | 668.85 | Joback Calculated Property |
| Cp,gas | 683.28 | J/mol×K | 700.37 | Joback Calculated Property |
| Cp,gas | 700.22 | J/mol×K | 731.90 | Joback Calculated Property |
| Cp,gas | 716.29 | J/mol×K | 763.42 | Joback Calculated Property |
| Cp,gas | 731.55 | J/mol×K | 794.94 | Joback Calculated Property |
| Cp,gas | 746.03 | J/mol×K | 826.46 | Joback Calculated Property |
| Cp,gas | 759.78 | J/mol×K | 857.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-Sesquilavandulyl acetate.
Sources
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