- InChI
- InChI=1S/C15H22O2/c1-5-10(2)14(16)17-9-11-6-7-12-8-13(11)15(12,3)4/h5-6,12-13H,7-9H2,1-4H3/b10-5-
- InChI Key
- NVDMRTRSCKSXHT-YHYXMXQVSA-N
- Formula
- C15H22O2
- SMILES
- CC=C(C)C(=O)OCC1=CCC2CC1C2(C)C
- Molecular Weight1
- 234.33
- CAS
- 138530-45-7
- 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° | 29.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 3.488 | Crippen Calculated Property | |
| McVol | 199.330 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | [1611.40; 1611.40] |
|
|
| Inp | 1611.40 | NIST | |
| Inp | 1611.40 | NIST | |
| Tboil | 640.39 | K | Joback Calculated Property |
| Tc | 852.82 | K | Joback Calculated Property |
| Tfus | 377.23 | K | Joback Calculated Property |
| Vc | 0.769 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.40; 649.22] | J/mol×K | [640.39; 852.82] |
|
| Cp,gas | 551.40 | J/mol×K | 640.39 | Joback Calculated Property |
| Cp,gas | 569.60 | J/mol×K | 675.79 | Joback Calculated Property |
| Cp,gas | 586.84 | J/mol×K | 711.20 | Joback Calculated Property |
| Cp,gas | 603.27 | J/mol×K | 746.60 | Joback Calculated Property |
| Cp,gas | 619.04 | J/mol×K | 782.01 | Joback Calculated Property |
| Cp,gas | 634.31 | J/mol×K | 817.41 | Joback Calculated Property |
| Cp,gas | 649.22 | J/mol×K | 852.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Myrtenyl angelate.
Sources
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