- InChI
- InChI=1S/C12H22O4/c1-5-15-10(13)7-6-8-11(14)16-9-12(2,3)4/h5-9H2,1-4H3
- InChI Key
- BIBNLWLYFRCTPS-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)CCCC(=O)OCC(C)(C)C
- Molecular Weight1
- 230.30
- 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 | 0.6909 | Relay (1.0) Calculated Property | |
| ΔfG° | -567.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -942.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.309 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1824.72 | kPa | Joback Calculated Property |
| Inp | [1490.00; 1490.00] |
|
|
| Inp | 1490.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Tboil | 531.32 | K | Relay (1.0) Calculated Property |
| Tc | 693.08 | K | Relay (1.0) Calculated Property |
| Tfus | 272.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [506.81; 589.10] | J/mol×K | [587.37; 768.30] |
|
| Cp,gas | 506.81 | J/mol×K | 587.37 | Joback Calculated Property |
| Cp,gas | 522.51 | J/mol×K | 617.53 | Joback Calculated Property |
| Cp,gas | 537.39 | J/mol×K | 647.68 | Joback Calculated Property |
| Cp,gas | 551.47 | J/mol×K | 677.84 | Joback Calculated Property |
| Cp,gas | 564.78 | J/mol×K | 707.99 | Joback Calculated Property |
| Cp,gas | 577.31 | J/mol×K | 738.15 | Joback Calculated Property |
| Cp,gas | 589.10 | J/mol×K | 768.30 | Joback Calculated Property |
| η | [0.0001151; 0.0046313] | Pa×s | [312.08; 587.37] |
|
| η | 0.0046313 | Pa×s | 312.08 | Joback Calculated Property |
| η | 0.0016860 | Pa×s | 357.96 | Joback Calculated Property |
| η | 0.0007722 | Pa×s | 403.84 | Joback Calculated Property |
| η | 0.0004148 | Pa×s | 449.72 | Joback Calculated Property |
| η | 0.0002499 | Pa×s | 495.61 | Joback Calculated Property |
| η | 0.0001641 | Pa×s | 541.49 | Joback Calculated Property |
| η | 0.0001151 | Pa×s | 587.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl neopentyl ester.
Sources
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