- InChI
- InChI=1S/C13H20O2/c1-10-4-6-13(7-5-10)11(2)8-9-15-12(3)14/h4,8,13H,5-7,9H2,1-3H3/b11-8-
- InChI Key
- VRZUSHXWKUAXEH-FLIBITNWSA-N
- Formula
- C13H20O2
- SMILES
- CC(=O)OCC=C(C)C1CC=C(C)CC1
- Molecular Weight1
- 208.30
- 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° | -58.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 3.242 | Crippen Calculated Property | |
| McVol | 182.010 | ml/mol | McGowan Calculated Property |
| Pc | 2189.73 | kPa | Joback Calculated Property |
| Inp | [1517.00; 1517.00] |
|
|
| Inp | 1517.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Tboil | 600.86 | K | Joback Calculated Property |
| Tc | 812.01 | K | Joback Calculated Property |
| Tfus | 310.05 | K | Joback Calculated Property |
| Vc | 0.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.15; 560.33] | J/mol×K | [600.86; 812.01] |
|
| Cp,gas | 466.15 | J/mol×K | 600.86 | Joback Calculated Property |
| Cp,gas | 484.32 | J/mol×K | 636.05 | Joback Calculated Property |
| Cp,gas | 501.46 | J/mol×K | 671.24 | Joback Calculated Property |
| Cp,gas | 517.60 | J/mol×K | 706.43 | Joback Calculated Property |
| Cp,gas | 532.78 | J/mol×K | 741.63 | Joback Calculated Property |
| Cp,gas | 547.01 | J/mol×K | 776.82 | Joback Calculated Property |
| Cp,gas | 560.33 | J/mol×K | 812.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citryl acetate.
Sources
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