- InChI
- InChI=1S/C16H28O4/c1-4-5-8-12-19-15(17)9-6-7-10-16(18)20-13-11-14(2)3/h2,4-13H2,1,3H3
- InChI Key
- UDDUVKRWIRAHCV-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
- C=C(C)CCOC(=O)CCCCC(=O)OCCCCC
- Molecular Weight1
- 284.39
- 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 | 0.8554 | Relay (1.0) Calculated Property | |
| ΔfG° | -304.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -898.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1462.37 | kPa | Joback Calculated Property |
| Inp | 1938.00 | NIST | |
| Tboil | 590.88 | K | Relay (1.0) Calculated Property |
| Tc | 743.15 | K | Relay (1.0) Calculated Property |
| Tfus | 250.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.932 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [708.70; 793.80] | J/mol×K | [714.62; 894.17] | 
|
| Cp,gas | 708.70 | J/mol×K | 714.62 | Joback Calculated Property |
| Cp,gas | 724.88 | J/mol×K | 744.55 | Joback Calculated Property |
| Cp,gas | 740.25 | J/mol×K | 774.47 | Joback Calculated Property |
| Cp,gas | 754.81 | J/mol×K | 804.40 | Joback Calculated Property |
| Cp,gas | 768.59 | J/mol×K | 834.32 | Joback Calculated Property |
| Cp,gas | 781.58 | J/mol×K | 864.25 | Joback Calculated Property |
| Cp,gas | 793.80 | J/mol×K | 894.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbut-3-enyl pentyl ester.
Sources
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