- InChI
- InChI=1S/C12H20O3/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h8-11,13H,2-7H2,1H3/t8?,9?,10-,11-/m1/s1
- InChI Key
- WDHAHCIDYFOARH-JPPWEJMLSA-N
- Formula
- C12H20O3
- SMILES
- COC(=O)C1CCC2CC(O)CCC2C1
- Molecular Weight1
- 212.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -262.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.04 | kJ/mol | Joback Calculated Property |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 1.737 | Crippen Calculated Property | |
| McVol | 171.530 | ml/mol | McGowan Calculated Property |
| Pc | 2662.52 | kPa | Joback Calculated Property |
| Inp | 1665.00 | NIST | |
| I | 2656.00 | NIST | |
| Tboil | 663.65 | K | Joback Calculated Property |
| Tc | 869.13 | K | Joback Calculated Property |
| Tfus | 371.30 | K | Joback Calculated Property |
| Vc | 0.630 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [514.36; 605.17] | J/mol×K | [663.65; 869.13] | 
|
| Cp,gas | 514.36 | J/mol×K | 663.65 | Joback Calculated Property |
| Cp,gas | 532.14 | J/mol×K | 697.90 | Joback Calculated Property |
| Cp,gas | 548.83 | J/mol×K | 732.14 | Joback Calculated Property |
| Cp,gas | 564.45 | J/mol×K | 766.39 | Joback Calculated Property |
| Cp,gas | 579.03 | J/mol×K | 800.63 | Joback Calculated Property |
| Cp,gas | 592.60 | J/mol×K | 834.88 | Joback Calculated Property |
| Cp,gas | 605.17 | J/mol×K | 869.13 | Joback Calculated Property |
| η | [0.0001450; 0.0042886] | Pa×s | [371.30; 663.65] |
|
| η | 0.0042886 | Pa×s | 371.30 | Joback Calculated Property |
| η | 0.0017578 | Pa×s | 420.02 | Joback Calculated Property |
| η | 0.0008673 | Pa×s | 468.75 | Joback Calculated Property |
| η | 0.0004888 | Pa×s | 517.48 | Joback Calculated Property |
| η | 0.0003041 | Pa×s | 566.20 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 614.92 | Joback Calculated Property |
| η | 0.0001450 | Pa×s | 663.65 | Joback Calculated Property |
Similar Compounds
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Sources
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