- InChI
- InChI=1S/C17H30O4/c1-4-5-6-7-8-13-20-16(18)10-9-11-17(19)21-14-12-15(2)3/h12H,4-11,13-14H2,1-3H3
- InChI Key
- ACDDLJGMLUDCCD-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
- CCCCCCCOC(=O)CCCC(=O)OCC=C(C)C
- Molecular Weight1
- 298.42
- 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).
- 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° | -303.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 4.180 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1370.73 | kPa | Joback Calculated Property |
| Inp | [2106.00; 2106.00] |
|
|
| Inp | 2106.00 | NIST | |
| Inp | 2106.00 | NIST | |
| Tboil | 744.98 | K | Joback Calculated Property |
| Tc | 927.61 | K | Joback Calculated Property |
| Tfus | 406.63 | K | Joback Calculated Property |
| Vc | 1.016 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [766.93; 853.95] | J/mol×K | [744.98; 927.61] |
|
| Cp,gas | 766.93 | J/mol×K | 744.98 | Joback Calculated Property |
| Cp,gas | 783.53 | J/mol×K | 775.42 | Joback Calculated Property |
| Cp,gas | 799.26 | J/mol×K | 805.86 | Joback Calculated Property |
| Cp,gas | 814.15 | J/mol×K | 836.30 | Joback Calculated Property |
| Cp,gas | 828.22 | J/mol×K | 866.73 | Joback Calculated Property |
| Cp,gas | 841.48 | J/mol×K | 897.17 | Joback Calculated Property |
| Cp,gas | 853.95 | J/mol×K | 927.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptyl 3-methylbut-2-enyl ester.
Sources
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