- InChI
- InChI=1S/C16H28O4/c1-5-7-9-13(3)19-15(17)11-12-16(18)20-14(4)10-8-6-2/h11-14H,5-10H2,1-4H3/b12-11+
- InChI Key
- NMWLGMUACXLYQW-VAWYXSNFSA-N
- Formula
- C16H28O4
- SMILES
-
CCCCC(C)OC(=O)C=CC(=O)OC(C)CCC
C - Molecular Weight1
- 284.39
- 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° | -308.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.70 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 3.786 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1486.14 | kPa | Joback Calculated Property |
| Inp | [1830.00; 1830.00] |
|
|
| Inp | 1830.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Tboil | 721.34 | K | Joback Calculated Property |
| Tc | 906.29 | K | Joback Calculated Property |
| Tfus | 379.32 | K | Joback Calculated Property |
| Vc | 0.948 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.40; 797.61] | J/mol×K | [721.34; 906.29] |
|
| Cp,gas | 711.40 | J/mol×K | 721.34 | Joback Calculated Property |
| Cp,gas | 727.88 | J/mol×K | 752.17 | Joback Calculated Property |
| Cp,gas | 743.49 | J/mol×K | 782.99 | Joback Calculated Property |
| Cp,gas | 758.25 | J/mol×K | 813.82 | Joback Calculated Property |
| Cp,gas | 772.18 | J/mol×K | 844.64 | Joback Calculated Property |
| Cp,gas | 785.29 | J/mol×K | 875.47 | Joback Calculated Property |
| Cp,gas | 797.61 | J/mol×K | 906.29 | Joback Calculated Property |
| η | [0.0000683; 0.0017733] | Pa×s | [379.32; 721.34] |
|
| η | 0.0017733 | Pa×s | 379.32 | Joback Calculated Property |
| η | 0.0007229 | Pa×s | 436.32 | Joback Calculated Property |
| η | 0.0003626 | Pa×s | 493.33 | Joback Calculated Property |
| η | 0.0002098 | Pa×s | 550.33 | Joback Calculated Property |
| η | 0.0001345 | Pa×s | 607.33 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 664.34 | Joback Calculated Property |
| η | 0.0000683 | Pa×s | 721.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(2-hexyl) ester.
Sources
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