- InChI
- InChI=1S/C14H22O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9H,3,6,8,10H2,1-2,4-5H3/b13-9-
- InChI Key
- DWJIEXRXQKFNAB-LCYFTJDESA-N
- Formula
- C14H22O2
- SMILES
- C=C(C)C(=O)OCC=C(C)CCC=C(C)C
- Molecular Weight1
- 222.32
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 55.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -246.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.40 | kJ/mol | Joback Calculated Property |
| log10WS | -4.11 | Crippen Calculated Property | |
| logPoct/wat | 3.798 | Crippen Calculated Property | |
| McVol | 202.660 | ml/mol | McGowan Calculated Property |
| Pc | 1803.09 | kPa | Joback Calculated Property |
| Inp | [1501.00; 1501.00] |
|
|
| Inp | 1501.00 | NIST | |
| Inp | 1501.00 | NIST | |
| I | 1857.00 | NIST | |
| Tboil | 600.65 | K | Joback Calculated Property |
| Tc | 792.36 | K | Joback Calculated Property |
| Tfus | 265.90 | K | Joback Calculated Property |
| Vc | 0.787 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.56; 591.18] | J/mol×K | [600.65; 792.36] |
|
| Cp,gas | 505.56 | J/mol×K | 600.65 | Joback Calculated Property |
| Cp,gas | 521.78 | J/mol×K | 632.60 | Joback Calculated Property |
| Cp,gas | 537.16 | J/mol×K | 664.55 | Joback Calculated Property |
| Cp,gas | 551.76 | J/mol×K | 696.51 | Joback Calculated Property |
| Cp,gas | 565.60 | J/mol×K | 728.46 | Joback Calculated Property |
| Cp,gas | 578.73 | J/mol×K | 760.41 | Joback Calculated Property |
| Cp,gas | 591.18 | J/mol×K | 792.36 | Joback Calculated Property |
Similar Compounds
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Sources
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