- InChI
- InChI=1S/C12H20O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h9-11H,4-7H2,1-3H3
- InChI Key
- UWHRPSXEBAXLDR-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OCC1CCC2CC1C2(C)C
- Molecular Weight1
- 196.29
- Other Names
-
- (E)-myrtanol acetate
- 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° | -95.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.53 | Crippen Calculated Property | |
| logPoct/wat | 2.622 | Crippen Calculated Property | |
| McVol | 165.660 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | [1362.00; 1388.00] |
|
|
| Inp | 1386.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1387.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1388.00 | NIST | |
| Inp | 1387.00 | NIST | |
| Inp | 1387.00 | NIST | |
| Inp | Outlier 1362.00 | NIST | |
| Inp | 1379.00 | NIST | |
| Inp | 1386.00 | NIST | |
| Inp | 1387.00 | NIST | |
| I | [1719.00; 1719.00] |
|
|
| I | 1719.00 | NIST | |
| I | 1719.00 | NIST | |
| Tboil | 558.90 | K | Joback Calculated Property |
| Tc | 766.28 | K | Joback Calculated Property |
| Tfus | 344.94 | K | Joback Calculated Property |
| Vc | 0.633 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.95; 537.62] | J/mol×K | [558.90; 766.28] |
|
| Cp,gas | 438.95 | J/mol×K | 558.90 | Joback Calculated Property |
| Cp,gas | 457.77 | J/mol×K | 593.46 | Joback Calculated Property |
| Cp,gas | 475.48 | J/mol×K | 628.03 | Joback Calculated Property |
| Cp,gas | 492.21 | J/mol×K | 662.59 | Joback Calculated Property |
| Cp,gas | 508.06 | J/mol×K | 697.15 | Joback Calculated Property |
| Cp,gas | 523.16 | J/mol×K | 731.72 | Joback Calculated Property |
| Cp,gas | 537.62 | J/mol×K | 766.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-trans-Myrtanyl acatate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.