- InChI
- InChI=1S/C16H28O4/c1-7-13(11(3)4)19-15(17)9-10-16(18)20-14(8-2)12(5)6/h9-14H,7-8H2,1-6H3/b10-9+
- InChI Key
- WQXYJBHHPWLNAO-MDZDMXLPSA-N
- Formula
- C16H28O4
- SMILES
-
CCC(OC(=O)C=CC(=O)OC(CC)C(C)C)
C(C)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° | -313.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -767.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.498 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1504.65 | kPa | Joback Calculated Property |
| Inp | [1759.00; 1759.00] |
|
|
| Inp | 1759.00 | NIST | |
| Inp | 1759.00 | NIST | |
| Tboil | 720.46 | K | Joback Calculated Property |
| Tc | 910.25 | K | Joback Calculated Property |
| Tfus | 349.32 | K | Joback Calculated Property |
| Vc | 0.935 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [712.39; 800.49] | J/mol×K | [720.46; 910.25] |
|
| Cp,gas | 712.39 | J/mol×K | 720.46 | Joback Calculated Property |
| Cp,gas | 729.33 | J/mol×K | 752.09 | Joback Calculated Property |
| Cp,gas | 745.35 | J/mol×K | 783.72 | Joback Calculated Property |
| Cp,gas | 760.46 | J/mol×K | 815.36 | Joback Calculated Property |
| Cp,gas | 774.67 | J/mol×K | 846.99 | Joback Calculated Property |
| Cp,gas | 788.01 | J/mol×K | 878.62 | Joback Calculated Property |
| Cp,gas | 800.49 | J/mol×K | 910.25 | Joback Calculated Property |
| η | [0.0000583; 0.0030382] | Pa×s | [349.32; 720.46] |
|
| η | 0.0030382 | Pa×s | 349.32 | Joback Calculated Property |
| η | 0.0009576 | Pa×s | 411.18 | Joback Calculated Property |
| η | 0.0004082 | Pa×s | 473.03 | Joback Calculated Property |
| η | 0.0002119 | Pa×s | 534.89 | Joback Calculated Property |
| η | 0.0001261 | Pa×s | 596.75 | Joback Calculated Property |
| η | 0.0000827 | Pa×s | 658.60 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 720.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(2-methylpent-3-yl) ester.
Sources
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