- InChI
- InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3/t11-/m1/s1
- InChI Key
- WGPCZPLRVAWXPW-LLVKDONJSA-N
- Formula
- C12H22O2
- SMILES
- CCCCCCCCC1CCC(=O)O1
- Molecular Weight1
- 198.30
- 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.
- 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° | -122.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Inp | 1680.00 | NIST | |
| I | 2380.00 | NIST | |
| Tboil | 584.01 | K | Joback Calculated Property |
| Tc | 782.64 | K | Joback Calculated Property |
| Tfus | 330.69 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.94; 567.79] | J/mol×K | [584.01; 782.64] | 
|
| Cp,gas | 469.94 | J/mol×K | 584.01 | Joback Calculated Property |
| Cp,gas | 488.44 | J/mol×K | 617.11 | Joback Calculated Property |
| Cp,gas | 506.05 | J/mol×K | 650.22 | Joback Calculated Property |
| Cp,gas | 522.78 | J/mol×K | 683.32 | Joback Calculated Property |
| Cp,gas | 538.64 | J/mol×K | 716.43 | Joback Calculated Property |
| Cp,gas | 553.64 | J/mol×K | 749.53 | Joback Calculated Property |
| Cp,gas | 567.79 | J/mol×K | 782.64 | Joback Calculated Property |
Similar Compounds
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Sources
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