- InChI
- InChI=1S/C17H30O4/c1-12(2)8-7-11-20-15(18)9-10-16(19)21-17(13(3)4)14(5)6/h9-10,12-14,17H,7-8,11H2,1-6H3/b10-9+
- InChI Key
- NWCXINUHLFDREU-MDZDMXLPSA-N
- Formula
- C17H30O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)OC(C(C)C
)C(C)C - Molecular Weight1
- 298.42
- 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° | -305.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.746 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1398.55 | kPa | Joback Calculated Property |
| Inp | [1875.00; 1875.00] |
|
|
| Inp | 1875.00 | NIST | |
| Inp | 1875.00 | NIST | |
| Tboil | 743.34 | K | Joback Calculated Property |
| Tc | 932.50 | K | Joback Calculated Property |
| Tfus | 360.59 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.28; 858.79] | J/mol×K | [743.34; 932.50] |
|
| Cp,gas | 769.28 | J/mol×K | 743.34 | Joback Calculated Property |
| Cp,gas | 786.54 | J/mol×K | 774.87 | Joback Calculated Property |
| Cp,gas | 802.83 | J/mol×K | 806.39 | Joback Calculated Property |
| Cp,gas | 818.19 | J/mol×K | 837.92 | Joback Calculated Property |
| Cp,gas | 832.62 | J/mol×K | 869.44 | Joback Calculated Property |
| Cp,gas | 846.14 | J/mol×K | 900.97 | Joback Calculated Property |
| Cp,gas | 858.79 | J/mol×K | 932.50 | Joback Calculated Property |
| η | [0.0000507; 0.0026689] | Pa×s | [360.59; 743.34] |
|
| η | 0.0026689 | Pa×s | 360.59 | Joback Calculated Property |
| η | 0.0008393 | Pa×s | 424.38 | Joback Calculated Property |
| η | 0.0003571 | Pa×s | 488.17 | Joback Calculated Property |
| η | 0.0001851 | Pa×s | 551.96 | Joback Calculated Property |
| η | 0.0001100 | Pa×s | 615.76 | Joback Calculated Property |
| η | 0.0000720 | Pa×s | 679.55 | Joback Calculated Property |
| η | 0.0000507 | Pa×s | 743.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl isohexyl ester.
Sources
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