- InChI
- InChI=1S/C15H26O4/c1-4-5-11-18-14(16)8-6-7-9-15(17)19-12-10-13(2)3/h2,4-12H2,1,3H3
- InChI Key
- TVXDZCJYEFIBBU-UHFFFAOYSA-N
- Formula
- C15H26O4
- SMILES
- C=C(C)CCOC(=O)CCCCC(=O)OCCCC
- Molecular Weight1
- 270.36
- 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° | -313.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.68 | Crippen Calculated Property | |
| logPoct/wat | 3.399 | Crippen Calculated Property | |
| McVol | 232.790 | ml/mol | McGowan Calculated Property |
| Pc | 1575.95 | kPa | Joback Calculated Property |
| Inp | [1834.00; 1834.00] |
|
|
| Inp | 1834.00 | NIST | |
| Inp | 1834.00 | NIST | |
| Tboil | 691.74 | K | Joback Calculated Property |
| Tc | 871.40 | K | Joback Calculated Property |
| Tfus | 387.41 | K | Joback Calculated Property |
| Vc | 0.905 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.06; 736.13] | J/mol×K | [691.74; 871.40] |
|
| Cp,gas | 653.06 | J/mol×K | 691.74 | Joback Calculated Property |
| Cp,gas | 668.81 | J/mol×K | 721.68 | Joback Calculated Property |
| Cp,gas | 683.78 | J/mol×K | 751.63 | Joback Calculated Property |
| Cp,gas | 697.99 | J/mol×K | 781.57 | Joback Calculated Property |
| Cp,gas | 711.44 | J/mol×K | 811.52 | Joback Calculated Property |
| Cp,gas | 724.15 | J/mol×K | 841.46 | Joback Calculated Property |
| Cp,gas | 736.13 | J/mol×K | 871.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, butyl 3-methylbut-3-enyl ester.
Sources
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