- InChI
- InChI=1S/C13H22O4/c1-6-9-16-11(14)7-8-12(15)17-10(2)13(3,4)5/h7-8,10H,6,9H2,1-5H3/b8-7+
- InChI Key
- OWDRQADJYYYCLG-BQYQJAHWSA-N
- Formula
- C13H22O4
- SMILES
- CCCOC(=O)C=CC(=O)OC(C)C(C)(C)C
- Molecular Weight1
- 242.31
- 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.
- 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° | -328.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.12 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.474 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1898.60 | kPa | Joback Calculated Property |
| Inp | [1537.00; 1537.00] |
|
|
| Inp | 1537.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Tboil | 649.91 | K | Joback Calculated Property |
| Tc | 843.73 | K | Joback Calculated Property |
| Tfus | 362.93 | K | Joback Calculated Property |
| Vc | 0.774 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.22; 630.63] | J/mol×K | [649.91; 843.73] |
|
| Cp,gas | 550.22 | J/mol×K | 649.91 | Joback Calculated Property |
| Cp,gas | 565.66 | J/mol×K | 682.21 | Joback Calculated Property |
| Cp,gas | 580.25 | J/mol×K | 714.52 | Joback Calculated Property |
| Cp,gas | 594.01 | J/mol×K | 746.82 | Joback Calculated Property |
| Cp,gas | 606.98 | J/mol×K | 779.12 | Joback Calculated Property |
| Cp,gas | 619.18 | J/mol×K | 811.43 | Joback Calculated Property |
| Cp,gas | 630.63 | J/mol×K | 843.73 | Joback Calculated Property |
| η | [0.0000932; 0.0020140] | Pa×s | [362.93; 649.91] |
|
| η | 0.0020140 | Pa×s | 362.93 | Joback Calculated Property |
| η | 0.0008956 | Pa×s | 410.76 | Joback Calculated Property |
| η | 0.0004717 | Pa×s | 458.59 | Joback Calculated Property |
| η | 0.0002804 | Pa×s | 506.42 | Joback Calculated Property |
| η | 0.0001823 | Pa×s | 554.25 | Joback Calculated Property |
| η | 0.0001269 | Pa×s | 602.08 | Joback Calculated Property |
| η | 0.0000932 | Pa×s | 649.91 | Joback Calculated Property |
Similar Compounds
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Sources
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