- InChI
- InChI=1S/C13H20O4/c1-5-10(3)16-12(14)8-7-9-13(15)17-11(4)6-2/h5-6,10-11H,1-2,7-9H2,3-4H3
- InChI Key
- LMIRESYEZCWSNC-UHFFFAOYSA-N
- Formula
- C13H20O4
- SMILES
- C=CC(C)OC(=O)CCCC(=O)OC(C)C=C
- Molecular Weight1
- 240.30
- 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° | -238.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.73 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 2.392 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1933.83 | kPa | Joback Calculated Property |
| Inp | [1462.00; 1462.00] |
|
|
| Inp | 1462.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Tboil | 641.90 | K | Joback Calculated Property |
| Tc | 829.29 | K | Joback Calculated Property |
| Tfus | 347.07 | K | Joback Calculated Property |
| Vc | 0.761 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.38; 600.96] | J/mol×K | [641.90; 829.29] |
|
| Cp,gas | 524.38 | J/mol×K | 641.90 | Joback Calculated Property |
| Cp,gas | 538.95 | J/mol×K | 673.13 | Joback Calculated Property |
| Cp,gas | 552.78 | J/mol×K | 704.36 | Joback Calculated Property |
| Cp,gas | 565.89 | J/mol×K | 735.59 | Joback Calculated Property |
| Cp,gas | 578.28 | J/mol×K | 766.82 | Joback Calculated Property |
| Cp,gas | 589.97 | J/mol×K | 798.05 | Joback Calculated Property |
| Cp,gas | 600.96 | J/mol×K | 829.29 | Joback Calculated Property |
| η | [0.0001282; 0.0024077] | Pa×s | [347.07; 641.90] |
|
| η | 0.0024077 | Pa×s | 347.07 | Joback Calculated Property |
| η | 0.0010905 | Pa×s | 396.21 | Joback Calculated Property |
| η | 0.0005883 | Pa×s | 445.35 | Joback Calculated Property |
| η | 0.0003588 | Pa×s | 494.49 | Joback Calculated Property |
| η | 0.0002392 | Pa×s | 543.62 | Joback Calculated Property |
| η | 0.0001706 | Pa×s | 592.76 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 641.90 | Joback Calculated Property |
Similar Compounds
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Sources
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