- InChI
- InChI=1S/C16H28O4/c1-4-6-7-8-9-10-13-19-15(17)11-12-16(18)20-14(3)5-2/h11-12,14H,4-10,13H2,1-3H3/b12-11+
- InChI Key
- XKPMRKINMLLCMX-VAWYXSNFSA-N
- Formula
- C16H28O4
- SMILES
- CCCCCCCCOC(=O)C=CC(=O)OC(C)CC
- 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° | -306.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.788 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1477.02 | kPa | Joback Calculated Property |
| Inp | [1928.00; 1928.00] |
|
|
| Inp | 1928.00 | NIST | |
| Inp | 1928.00 | NIST | |
| Tboil | 721.78 | K | Joback Calculated Property |
| Tc | 904.51 | K | Joback Calculated Property |
| Tfus | 394.32 | K | Joback Calculated Property |
| Vc | 0.954 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.90; 796.23] | J/mol×K | [721.78; 904.51] |
|
| Cp,gas | 710.90 | J/mol×K | 721.78 | Joback Calculated Property |
| Cp,gas | 727.17 | J/mol×K | 752.23 | Joback Calculated Property |
| Cp,gas | 742.59 | J/mol×K | 782.69 | Joback Calculated Property |
| Cp,gas | 757.19 | J/mol×K | 813.14 | Joback Calculated Property |
| Cp,gas | 770.99 | J/mol×K | 843.60 | Joback Calculated Property |
| Cp,gas | 783.99 | J/mol×K | 874.05 | Joback Calculated Property |
| Cp,gas | 796.23 | J/mol×K | 904.51 | Joback Calculated Property |
| η | [0.0000739; 0.0014186] | Pa×s | [394.32; 721.78] |
|
| η | 0.0014186 | Pa×s | 394.32 | Joback Calculated Property |
| η | 0.0006427 | Pa×s | 448.90 | Joback Calculated Property |
| η | 0.0003457 | Pa×s | 503.47 | Joback Calculated Property |
| η | 0.0002100 | Pa×s | 558.05 | Joback Calculated Property |
| η | 0.0001394 | Pa×s | 612.63 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 667.20 | Joback Calculated Property |
| η | 0.0000739 | Pa×s | 721.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-butyl octyl ester.
Sources
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