- InChI
- InChI=1S/C11H18O5/c1-5-8-14-9(12)6-7-10(13)15-16-11(2,3)4/h5H,1,6-8H2,2-4H3
- InChI Key
- QPPROZHNOJODIC-UHFFFAOYSA-N
- Formula
- C11H18O5
- SMILES
- C=CCOC(=O)CCC(=O)OOC(C)(C)C
- Molecular Weight1
- 230.26
- CAS
- 52345-52-5
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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° | -440.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.51 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -817.00 ± 4.00 | kJ/mol | NIST |
| ΔfusH° | 22.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.84 | kJ/mol | Joback Calculated Property |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 1.769 | Crippen Calculated Property | |
| McVol | 182.300 | ml/mol | McGowan Calculated Property |
| Pc | 2187.68 | kPa | Joback Calculated Property |
| Tboil | 619.53 | K | Joback Calculated Property |
| Tc | 809.17 | K | Joback Calculated Property |
| Tfus | 380.94 | K | Joback Calculated Property |
| Vc | 0.688 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.03; 545.09] | J/mol×K | [619.53; 809.17] | 
|
| Cp,gas | 473.03 | J/mol×K | 619.53 | Joback Calculated Property |
| Cp,gas | 486.76 | J/mol×K | 651.14 | Joback Calculated Property |
| Cp,gas | 499.79 | J/mol×K | 682.74 | Joback Calculated Property |
| Cp,gas | 512.14 | J/mol×K | 714.35 | Joback Calculated Property |
| Cp,gas | 523.80 | J/mol×K | 745.95 | Joback Calculated Property |
| Cp,gas | 534.78 | J/mol×K | 777.56 | Joback Calculated Property |
| Cp,gas | 545.09 | J/mol×K | 809.17 | Joback Calculated Property |
| η | [0.0001226; 0.0013597] | Pa×s | [380.94; 619.53] |
|
| η | 0.0013597 | Pa×s | 380.94 | Joback Calculated Property |
| η | 0.0007533 | Pa×s | 420.70 | Joback Calculated Property |
| η | 0.0004621 | Pa×s | 460.47 | Joback Calculated Property |
| η | 0.0003064 | Pa×s | 500.24 | Joback Calculated Property |
| η | 0.0002158 | Pa×s | 540.00 | Joback Calculated Property |
| η | 0.0001595 | Pa×s | 579.76 | Joback Calculated Property |
| η | 0.0001226 | Pa×s | 619.53 | Joback Calculated Property |
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Sources
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