- InChI
- InChI=1S/C20H34O2/c1-4-5-6-7-8-9-10-11-19(21)22-15-16-12-13-17-14-18(16)20(17,2)3/h12,17-18H,4-11,13-15H2,1-3H3
- InChI Key
- LQMAKCSAHVRHGY-UHFFFAOYSA-N
- Formula
- C20H34O2
- SMILES
-
CCCCCCCCCC(=O)OCC1=CCC2CC1C2(C
)C - Molecular Weight1
- 306.48
- 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° | 0.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.76 | kJ/mol | Joback Calculated Property |
| log10WS | -5.97 | Crippen Calculated Property | |
| logPoct/wat | 5.663 | Crippen Calculated Property | |
| McVol | 274.080 | ml/mol | McGowan Calculated Property |
| Pc | 1299.53 | kPa | Joback Calculated Property |
| Inp | [2126.00; 2126.00] |
|
|
| Inp | 2126.00 | NIST | |
| Inp | 2126.00 | NIST | |
| Tboil | 750.75 | K | Joback Calculated Property |
| Tc | 943.14 | K | Joback Calculated Property |
| Tfus | 452.62 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [855.71; 968.52] | J/mol×K | [750.75; 943.14] |
|
| Cp,gas | 855.71 | J/mol×K | 750.75 | Joback Calculated Property |
| Cp,gas | 875.99 | J/mol×K | 782.81 | Joback Calculated Property |
| Cp,gas | 895.52 | J/mol×K | 814.88 | Joback Calculated Property |
| Cp,gas | 914.43 | J/mol×K | 846.94 | Joback Calculated Property |
| Cp,gas | 932.82 | J/mol×K | 879.01 | Joback Calculated Property |
| Cp,gas | 950.81 | J/mol×K | 911.07 | Joback Calculated Property |
| Cp,gas | 968.52 | J/mol×K | 943.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Myrtenyl caprate.
Sources
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