- InChI
- InChI=1S/C17H26O2/c1-11-7-8-17-12(2)5-6-14(17)16(4,15(17)9-11)10-19-13(3)18/h9,12,14-15H,5-8,10H2,1-4H3/t12-,14+,15+,16+,17+/m1/s1
- InChI Key
- WEGYMQPVQUNDTQ-VFTHGPRRSA-N
- Formula
- C17H26O2
- SMILES
-
CC(=O)OCC1(C)C2C=C(C)CCC23C(C)
CCC13 - Molecular Weight1
- 262.39
- 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° | 10.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.71 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.958 | Crippen Calculated Property | |
| McVol | 220.950 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | 1780.00 | NIST | |
| Tboil | 688.69 | K | Joback Calculated Property |
| Tc | 909.97 | K | Joback Calculated Property |
| Tfus | 452.89 | K | Joback Calculated Property |
| Vc | 0.847 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [668.83; 789.03] | J/mol×K | [688.69; 909.97] | 
|
| Cp,gas | 668.83 | J/mol×K | 688.69 | Joback Calculated Property |
| Cp,gas | 689.94 | J/mol×K | 725.57 | Joback Calculated Property |
| Cp,gas | 710.27 | J/mol×K | 762.45 | Joback Calculated Property |
| Cp,gas | 730.07 | J/mol×K | 799.33 | Joback Calculated Property |
| Cp,gas | 749.63 | J/mol×K | 836.21 | Joback Calculated Property |
| Cp,gas | 769.19 | J/mol×K | 873.09 | Joback Calculated Property |
| Cp,gas | 789.03 | J/mol×K | 909.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Italicen-12-yl acetate.
Sources
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