- InChI
- InChI=1S/C12H20O2/c1-8-6-11(7-14-10(3)13)12(4,5)9(8)2/h6,9,11H,7H2,1-5H3/t9-,11+/m1/s1
- InChI Key
- LZTCNNXHQNNINB-KOLCDFICSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OCC1C=C(C)C(C)C1(C)C
- Molecular Weight1
- 196.29
- 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° | -147.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.90 | kJ/mol | Joback Calculated Property |
| log10WS | -2.73 | Crippen Calculated Property | |
| logPoct/wat | 2.788 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2175.46 | kPa | Joback Calculated Property |
| Inp | 1270.00 | NIST | |
| Tboil | 560.57 | K | Joback Calculated Property |
| Tc | 763.38 | K | Joback Calculated Property |
| Tfus | 336.76 | K | Joback Calculated Property |
| Vc | 0.654 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.83; 528.12] | J/mol×K | [560.57; 763.38] | 
|
| Cp,gas | 434.83 | J/mol×K | 560.57 | Joback Calculated Property |
| Cp,gas | 452.31 | J/mol×K | 594.37 | Joback Calculated Property |
| Cp,gas | 468.92 | J/mol×K | 628.17 | Joback Calculated Property |
| Cp,gas | 484.73 | J/mol×K | 661.98 | Joback Calculated Property |
| Cp,gas | 499.82 | J/mol×K | 695.78 | Joback Calculated Property |
| Cp,gas | 514.26 | J/mol×K | 729.58 | Joback Calculated Property |
| Cp,gas | 528.12 | J/mol×K | 763.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-«alpha»-Necrodyl acetate.
Sources
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