- InChI
- InChI=1S/C15H26O4/c1-5-8-13(4)19-15(17)10-7-6-9-14(16)18-11-12(2)3/h5,12-13H,1,6-11H2,2-4H3
- InChI Key
- BAVPTJDUNMBIIK-UHFFFAOYSA-N
- Formula
- C15H26O4
- SMILES
- C=CCC(C)OC(=O)CCCCC(=O)OCC(C)C
- Molecular Weight1
- 270.36
- 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° | -309.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.55 | Crippen Calculated Property | |
| logPoct/wat | 3.254 | Crippen Calculated Property | |
| McVol | 232.790 | ml/mol | McGowan Calculated Property |
| Pc | 1589.81 | kPa | Joback Calculated Property |
| Inp | [1727.00; 1727.00] |
|
|
| Inp | 1727.00 | NIST | |
| Inp | 1727.00 | NIST | |
| Tboil | 690.98 | K | Joback Calculated Property |
| Tc | 873.40 | K | Joback Calculated Property |
| Tfus | 371.37 | K | Joback Calculated Property |
| Vc | 0.892 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.33; 738.65] | J/mol×K | [690.98; 873.40] |
|
| Cp,gas | 654.33 | J/mol×K | 690.98 | Joback Calculated Property |
| Cp,gas | 670.39 | J/mol×K | 721.38 | Joback Calculated Property |
| Cp,gas | 685.64 | J/mol×K | 751.79 | Joback Calculated Property |
| Cp,gas | 700.07 | J/mol×K | 782.19 | Joback Calculated Property |
| Cp,gas | 713.72 | J/mol×K | 812.59 | Joback Calculated Property |
| Cp,gas | 726.57 | J/mol×K | 842.99 | Joback Calculated Property |
| Cp,gas | 738.65 | J/mol×K | 873.40 | Joback Calculated Property |
| η | [0.0000954; 0.0020674] | Pa×s | [371.37; 690.98] |
|
| η | 0.0020674 | Pa×s | 371.37 | Joback Calculated Property |
| η | 0.0008976 | Pa×s | 424.64 | Joback Calculated Property |
| η | 0.0004694 | Pa×s | 477.91 | Joback Calculated Property |
| η | 0.0002795 | Pa×s | 531.17 | Joback Calculated Property |
| η | 0.0001830 | Pa×s | 584.44 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 637.71 | Joback Calculated Property |
| η | 0.0000954 | Pa×s | 690.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isobutyl pent-4-en-2-yl ester.
Sources
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