- InChI
- InChI=1S/C13H22O4/c1-3-5-6-7-11-17-13(15)10-8-9-12(14)16-4-2/h5-6H,3-4,7-11H2,1-2H3/b6-5+
- InChI Key
- SEEBGLPCIYCXHS-AATRIKPKSA-N
- Formula
- C13H22O4
- SMILES
- CCC=CCCOC(=O)CCCC(=O)OCC
- 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° | -329.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.80 | kJ/mol | Joback Calculated Property |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1854.71 | kPa | Joback Calculated Property |
| Inp | [1693.00; 1693.00] |
|
|
| Inp | 1693.00 | NIST | |
| Inp | 1693.00 | NIST | |
| Tboil | 653.58 | K | Joback Calculated Property |
| Tc | 835.79 | K | Joback Calculated Property |
| Tfus | 375.51 | K | Joback Calculated Property |
| Vc | 0.791 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.88; 624.48] | J/mol×K | [653.58; 835.79] |
|
| Cp,gas | 546.88 | J/mol×K | 653.58 | Joback Calculated Property |
| Cp,gas | 561.52 | J/mol×K | 683.95 | Joback Calculated Property |
| Cp,gas | 575.46 | J/mol×K | 714.32 | Joback Calculated Property |
| Cp,gas | 588.72 | J/mol×K | 744.69 | Joback Calculated Property |
| Cp,gas | 601.30 | J/mol×K | 775.06 | Joback Calculated Property |
| Cp,gas | 613.22 | J/mol×K | 805.43 | Joback Calculated Property |
| Cp,gas | 624.48 | J/mol×K | 835.79 | Joback Calculated Property |
| η | [0.0001162; 0.0014825] | Pa×s | [375.51; 653.58] |
|
| η | 0.0014825 | Pa×s | 375.51 | Joback Calculated Property |
| η | 0.0007681 | Pa×s | 421.85 | Joback Calculated Property |
| η | 0.0004533 | Pa×s | 468.20 | Joback Calculated Property |
| η | 0.0002942 | Pa×s | 514.54 | Joback Calculated Property |
| η | 0.0002051 | Pa×s | 560.89 | Joback Calculated Property |
| η | 0.0001511 | Pa×s | 607.23 | Joback Calculated Property |
| η | 0.0001162 | Pa×s | 653.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, ethyl trans-hex-3-enyl ester.
Sources
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