- InChI
- InChI=1S/C16H26O2/c1-4-5-6-7-15(17)18-11-12-8-9-13-10-14(12)16(13,2)3/h8,13-14H,4-7,9-11H2,1-3H3
- InChI Key
- TWSZIXSQUCWBEC-UHFFFAOYSA-N
- Formula
- C16H26O2
- SMILES
- CCCCCC(=O)OCC1=CCC2CC1C2(C)C
- Molecular Weight1
- 250.38
- 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° | -33.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 4.102 | Crippen Calculated Property | |
| McVol | 217.720 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | [1640.00; 1640.00] |
|
|
| Inp | 1640.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Tboil | 659.23 | K | Joback Calculated Property |
| Tc | 857.82 | K | Joback Calculated Property |
| Tfus | 407.54 | K | Joback Calculated Property |
| Vc | 0.845 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.77; 728.46] | J/mol×K | [659.23; 857.82] |
|
| Cp,gas | 626.77 | J/mol×K | 659.23 | Joback Calculated Property |
| Cp,gas | 645.53 | J/mol×K | 692.33 | Joback Calculated Property |
| Cp,gas | 663.41 | J/mol×K | 725.43 | Joback Calculated Property |
| Cp,gas | 680.52 | J/mol×K | 758.53 | Joback Calculated Property |
| Cp,gas | 696.99 | J/mol×K | 791.62 | Joback Calculated Property |
| Cp,gas | 712.93 | J/mol×K | 824.72 | Joback Calculated Property |
| Cp,gas | 728.46 | J/mol×K | 857.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Myrtenyl hexanoate.
Sources
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