- InChI
- InChI=1S/C16H26O4/c1-4-5-6-7-12-19-15(17)9-8-10-16(18)20-13-11-14(2)3/h5-6,11H,4,7-10,12-13H2,1-3H3/b6-5-
- InChI Key
- DQZBJDPMNWWDTG-WAYWQWQTSA-N
- Formula
- C16H26O4
- SMILES
- CCC=CCCOC(=O)CCCC(=O)OCC=C(C)C
- Molecular Weight1
- 282.38
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7279 | Relay (... Calculated Property | |
| ΔfG° | -232.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -847.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 41.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.15 | kJ/mol | Relay (... Calculated Property |
| IE | 8.48 | eV | Relay (... Calculated Property |
| log10WS | -3.55 | Relay (... Calculated Property | |
| logPoct/wat | 3.566 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1534.26 | kPa | Joback Calculated Property |
| Inp | [1944.00; 1944.00] |
|
|
| Inp | 1944.00 | NIST | |
| Inp | 1944.00 | NIST | |
| Tboil | 586.64 | K | Relay (... Calculated Property |
| Tc | 745.54 | K | Relay (... Calculated Property |
| Tfus | 244.11 | K | Relay (... Calculated Property |
| Vc | 0.876 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.64; 769.05] | J/mol×K | [726.26; 913.61] |
|
| Cp,gas | 686.64 | J/mol×K | 726.26 | Joback Calculated Property |
| Cp,gas | 702.33 | J/mol×K | 757.49 | Joback Calculated Property |
| Cp,gas | 717.21 | J/mol×K | 788.71 | Joback Calculated Property |
| Cp,gas | 731.29 | J/mol×K | 819.94 | Joback Calculated Property |
| Cp,gas | 744.60 | J/mol×K | 851.16 | Joback Calculated Property |
| Cp,gas | 757.18 | J/mol×K | 882.39 | Joback Calculated Property |
| Cp,gas | 769.05 | J/mol×K | 913.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl cis-hex-3-enyl ester.
Sources
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