- InChI
- InChI=1S/C16H28O4/c1-3-5-7-10-14-20-16(18)12-9-8-11-15(17)19-13-6-4-2/h5,7H,3-4,6,8-14H2,1-2H3/b7-5+
- InChI Key
- FLGBBJGLHAFCQK-FNORWQNLSA-N
- Formula
- C16H28O4
- SMILES
- CCC=CCCOC(=O)CCCCC(=O)OCCCC
- Molecular Weight1
- 284.39
- ω : Acentric Factor.
- 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).
- 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 | 0.8207 | Relay (... Calculated Property | |
| ΔfG° | -303.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -920.97 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.50 | kJ/mol | Relay (... Calculated Property |
| IE | 8.97 | eV | Relay (... Calculated Property |
| log10WS | -3.57 | Relay (... Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1467.98 | kPa | Joback Calculated Property |
| Inp | [1942.00; 1942.00] |
|
|
| Inp | 1942.00 | NIST | |
| Inp | 1942.00 | NIST | |
| Tboil | 581.62 | K | Relay (... Calculated Property |
| Tc | 743.10 | K | Relay (... Calculated Property |
| Tfus | 222.52 | K | Relay (... Calculated Property |
| Vc | 0.925 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.41; 794.90] | J/mol×K | [722.22; 902.85] |
|
| Cp,gas | 710.41 | J/mol×K | 722.22 | Joback Calculated Property |
| Cp,gas | 726.47 | J/mol×K | 752.33 | Joback Calculated Property |
| Cp,gas | 741.71 | J/mol×K | 782.43 | Joback Calculated Property |
| Cp,gas | 756.16 | J/mol×K | 812.54 | Joback Calculated Property |
| Cp,gas | 769.83 | J/mol×K | 842.64 | Joback Calculated Property |
| Cp,gas | 782.74 | J/mol×K | 872.75 | Joback Calculated Property |
| Cp,gas | 794.90 | J/mol×K | 902.85 | Joback Calculated Property |
| η | [0.0000801; 0.0011649] | Pa×s | [409.32; 722.22] |
|
| η | 0.0011649 | Pa×s | 409.32 | Joback Calculated Property |
| η | 0.0005794 | Pa×s | 461.47 | Joback Calculated Property |
| η | 0.0003321 | Pa×s | 513.62 | Joback Calculated Property |
| η | 0.0002109 | Pa×s | 565.77 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 617.92 | Joback Calculated Property |
| η | 0.0001051 | Pa×s | 670.07 | Joback Calculated Property |
| η | 0.0000801 | Pa×s | 722.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, butyl trans-hex-3-enyl ester.
Sources
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