- InChI
- InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3
- InChI Key
- NGIKFWJEQGLTBM-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- C=CC(C)(C)C(C=C(C)C)OC(C)=O
- Molecular Weight1
- 196.29
- CAS
- 3465-88-1
- Other Names
-
- Artemisyl acetate
- Artemisia alcohol acetate
- 2,5,5-trimethylhepta-2,6-dien-4-yl acetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4116 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.096 | Crippen Calculated Property | |
| McVol | 178.780 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [1152.00; 1190.00] |
|
|
| Inp | 1172.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1174.10 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | Outlier 1190.00 | NIST | |
| Inp | 1172.00 | NIST | |
| I | [1390.00; 1433.00] |
|
|
| I | 1404.00 | NIST | |
| I | 1433.00 | NIST | |
| I | 1390.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1390.00 | NIST | |
| Tboil | 479.51 | K | Relay (1.0) Calculated Property |
| Tc | 651.75 | K | Relay (1.0) Calculated Property |
| Tfus | 257.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.617 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.09; 514.17] | J/mol×K | [547.30; 744.21] |
|
| Cp,gas | 429.09 | J/mol×K | 547.30 | Joback Calculated Property |
| Cp,gas | 445.42 | J/mol×K | 580.12 | Joback Calculated Property |
| Cp,gas | 460.82 | J/mol×K | 612.94 | Joback Calculated Property |
| Cp,gas | 475.36 | J/mol×K | 645.76 | Joback Calculated Property |
| Cp,gas | 489.07 | J/mol×K | 678.57 | Joback Calculated Property |
| Cp,gas | 501.99 | J/mol×K | 711.39 | Joback Calculated Property |
| Cp,gas | 514.17 | J/mol×K | 744.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Artemisia acetate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.