- InChI
- InChI=1S/C19H34O4/c1-6-7-8-9-10-11-14-22-17(20)12-13-18(21)23-19(15(2)3)16(4)5/h12-13,15-16,19H,6-11,14H2,1-5H3/b13-12+
- InChI Key
- JGOMLRLIGCQIDL-OUKQBFOZSA-N
- Formula
- C19H34O4
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)OC(C(C)C
)C(C)C - Molecular Weight1
- 326.47
- 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° | -285.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -823.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 4.670 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Pc | 1210.67 | kPa | Joback Calculated Property |
| Inp | [2122.00; 2122.00] |
|
|
| Inp | 2122.00 | NIST | |
| Inp | 2122.00 | NIST | |
| Tboil | 789.54 | K | Joback Calculated Property |
| Tc | 977.44 | K | Joback Calculated Property |
| Tfus | 398.13 | K | Joback Calculated Property |
| Vc | 1.109 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [885.58; 976.92] | J/mol×K | [789.54; 977.44] |
|
| Cp,gas | 885.58 | J/mol×K | 789.54 | Joback Calculated Property |
| Cp,gas | 903.25 | J/mol×K | 820.86 | Joback Calculated Property |
| Cp,gas | 919.91 | J/mol×K | 852.17 | Joback Calculated Property |
| Cp,gas | 935.58 | J/mol×K | 883.49 | Joback Calculated Property |
| Cp,gas | 950.29 | J/mol×K | 914.81 | Joback Calculated Property |
| Cp,gas | 964.06 | J/mol×K | 946.12 | Joback Calculated Property |
| Cp,gas | 976.92 | J/mol×K | 977.44 | Joback Calculated Property |
| η | [0.0000415; 0.0015838] | Pa×s | [398.13; 789.54] |
|
| η | 0.0015838 | Pa×s | 398.13 | Joback Calculated Property |
| η | 0.0005628 | Pa×s | 463.37 | Joback Calculated Property |
| η | 0.0002582 | Pa×s | 528.60 | Joback Calculated Property |
| η | 0.0001406 | Pa×s | 593.84 | Joback Calculated Property |
| η | 0.0000863 | Pa×s | 659.07 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 724.31 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 789.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl octyl ester.
Sources
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