- InChI
- InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3
- InChI Key
- XPTXKXKPWKNYKB-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CCCCCCCC1CC=CC(=O)O1
- Molecular Weight1
- 196.29
- CAS
- 16400-72-9
- 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° | -104.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.219 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Inp | [1703.80; 1703.80] |
|
|
| Inp | 1703.80 | NIST | |
| Inp | 1703.80 | NIST | |
| Tboil | 587.44 | K | Joback Calculated Property |
| Tc | 794.47 | K | Joback Calculated Property |
| Tfus | 327.93 | K | Joback Calculated Property |
| Vc | 0.654 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.21; 547.61] | J/mol×K | [587.44; 794.47] |
|
| Cp,gas | 451.21 | J/mol×K | 587.44 | Joback Calculated Property |
| Cp,gas | 469.61 | J/mol×K | 621.95 | Joback Calculated Property |
| Cp,gas | 487.07 | J/mol×K | 656.45 | Joback Calculated Property |
| Cp,gas | 503.60 | J/mol×K | 690.96 | Joback Calculated Property |
| Cp,gas | 519.19 | J/mol×K | 725.46 | Joback Calculated Property |
| Cp,gas | 533.86 | J/mol×K | 759.97 | Joback Calculated Property |
| Cp,gas | 547.61 | J/mol×K | 794.47 | Joback Calculated Property |
Similar Compounds
![9-Octadecenoic acid, 12-(acetyloxy)-, methyl ester, [R-(Z)]-.](data:image/png;base64,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)
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