- InChI
- InChI=1S/C15H24O2/c1-12(2)6-4-7-14-8-5-9-15(10-14)11-17-13(3)16/h6,8,15H,4-5,7,9-11H2,1-3H3
- InChI Key
- IIUKCYITROTKFB-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
- CC(=O)OCC1CCC=C(CCC=C(C)C)C1
- Molecular Weight1
- 236.35
- 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° | -42.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 4.022 | Crippen Calculated Property | |
| McVol | 210.190 | ml/mol | McGowan Calculated Property |
| Pc | 1843.58 | kPa | Joback Calculated Property |
| Inp | [1682.90; 1704.00] |
|
|
| Inp | 1682.90 | NIST | |
| Inp | 1704.00 | NIST | |
| I | [2166.00; 2199.00] |
|
|
| I | 2166.00 | NIST | |
| I | 2199.00 | NIST | |
| Tboil | 646.62 | K | Joback Calculated Property |
| Tc | 851.38 | K | Joback Calculated Property |
| Tfus | 332.59 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [571.56; 669.97] | J/mol×K | [646.62; 851.38] |
|
| Cp,gas | 571.56 | J/mol×K | 646.62 | Joback Calculated Property |
| Cp,gas | 590.53 | J/mol×K | 680.75 | Joback Calculated Property |
| Cp,gas | 608.43 | J/mol×K | 714.87 | Joback Calculated Property |
| Cp,gas | 625.29 | J/mol×K | 749.00 | Joback Calculated Property |
| Cp,gas | 641.15 | J/mol×K | 783.13 | Joback Calculated Property |
| Cp,gas | 656.03 | J/mol×K | 817.26 | Joback Calculated Property |
| Cp,gas | 669.97 | J/mol×K | 851.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Myraldyl acetate 1.
Sources
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