- InChI
- InChI=1S/C12H18O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h5,10H,6-7H2,1-4H3
- InChI Key
- FTCAQUBXEGKQTD-UHFFFAOYSA-N
- Formula
- C12H18O3
- SMILES
- CC(=O)OC(C)(C)C1CC=C(C)C(=O)C1
- Molecular Weight1
- 210.27
- CAS
- 87578-93-6
- 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° | -258.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.61 | Crippen Calculated Property | |
| logPoct/wat | 2.253 | Crippen Calculated Property | |
| McVol | 173.790 | ml/mol | McGowan Calculated Property |
| Pc | 2393.53 | kPa | Joback Calculated Property |
| Inp | 1571.70 | NIST | |
| Tboil | 638.53 | K | Joback Calculated Property |
| Tc | 865.73 | K | Joback Calculated Property |
| Tfus | 388.46 | K | Joback Calculated Property |
| Vc | 0.646 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.92; 562.59] | J/mol×K | [638.53; 865.73] | 
|
| Cp,gas | 471.92 | J/mol×K | 638.53 | Joback Calculated Property |
| Cp,gas | 489.86 | J/mol×K | 676.40 | Joback Calculated Property |
| Cp,gas | 506.66 | J/mol×K | 714.26 | Joback Calculated Property |
| Cp,gas | 522.33 | J/mol×K | 752.13 | Joback Calculated Property |
| Cp,gas | 536.87 | J/mol×K | 790.00 | Joback Calculated Property |
| Cp,gas | 550.29 | J/mol×K | 827.86 | Joback Calculated Property |
| Cp,gas | 562.59 | J/mol×K | 865.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 8-Acetoxycarvotanacetone.
Sources
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