- InChI
- InChI=1S/C11H20O4/c1-4-9(3)8-15-11(13)7-6-10(12)14-5-2/h9H,4-8H2,1-3H3
- InChI Key
- ODJKTHLKSYNUAD-UHFFFAOYSA-N
- Formula
- C11H20O4
- SMILES
- CCOC(=O)CCC(=O)OCC(C)CC
- Molecular Weight1
- 216.27
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6644 | Relay (1.0) Calculated Property | |
| ΔfG° | -581.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -916.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.919 | Crippen Calculated Property | |
| McVol | 180.730 | ml/mol | McGowan Calculated Property |
| Pc | 1964.82 | kPa | Joback Calculated Property |
| Inp | [1424.00; 1425.00] |
|
|
| Inp | 1424.00 | NIST | |
| Inp | 1425.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Tboil | 519.98 | K | Relay (1.0) Calculated Property |
| Tc | 688.22 | K | Relay (1.0) Calculated Property |
| Tfus | 222.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.05; 532.18] | J/mol×K | [567.28; 744.00] |
|
| Cp,gas | 454.05 | J/mol×K | 567.28 | Joback Calculated Property |
| Cp,gas | 468.72 | J/mol×K | 596.73 | Joback Calculated Property |
| Cp,gas | 482.73 | J/mol×K | 626.19 | Joback Calculated Property |
| Cp,gas | 496.07 | J/mol×K | 655.64 | Joback Calculated Property |
| Cp,gas | 508.77 | J/mol×K | 685.09 | Joback Calculated Property |
| Cp,gas | 520.80 | J/mol×K | 714.55 | Joback Calculated Property |
| Cp,gas | 532.18 | J/mol×K | 744.00 | Joback Calculated Property |
| η | [0.0001352; 0.0061690] | Pa×s | [283.39; 567.28] |
|
| η | 0.0061690 | Pa×s | 283.39 | Joback Calculated Property |
| η | 0.0020694 | Pa×s | 330.70 | Joback Calculated Property |
| η | 0.0009125 | Pa×s | 378.02 | Joback Calculated Property |
| η | 0.0004828 | Pa×s | 425.33 | Joback Calculated Property |
| η | 0.0002901 | Pa×s | 472.65 | Joback Calculated Property |
| η | 0.0001913 | Pa×s | 519.96 | Joback Calculated Property |
| η | 0.0001352 | Pa×s | 567.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanedioic acid, ethyl-(2-methyl-1-butyl) ester.
Sources
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