- InChI
- InChI=1S/C14H24O4/c1-4-6-10-17-13(15)8-9-14(16)18-11-12(3)7-5-2/h8-9,12H,4-7,10-11H2,1-3H3/b9-8+
- InChI Key
- XSESWMZCIMKWKV-CMDGGOBGSA-N
- Formula
- C14H24O4
- SMILES
- CCCCOC(=O)C=CC(=O)OCC(C)CCC
- Molecular Weight1
- 256.34
- 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° | -323.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -709.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.64 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 2.865 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1721.73 | kPa | Joback Calculated Property |
| Inp | [1675.00; 1675.00] |
|
|
| Inp | 1675.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Tboil | 676.02 | K | Joback Calculated Property |
| Tc | 859.88 | K | Joback Calculated Property |
| Tfus | 371.78 | K | Joback Calculated Property |
| Vc | 0.842 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.60; 681.79] | J/mol×K | [676.02; 859.88] |
|
| Cp,gas | 600.60 | J/mol×K | 676.02 | Joback Calculated Property |
| Cp,gas | 616.00 | J/mol×K | 706.66 | Joback Calculated Property |
| Cp,gas | 630.64 | J/mol×K | 737.31 | Joback Calculated Property |
| Cp,gas | 644.52 | J/mol×K | 767.95 | Joback Calculated Property |
| Cp,gas | 657.67 | J/mol×K | 798.59 | Joback Calculated Property |
| Cp,gas | 670.09 | J/mol×K | 829.24 | Joback Calculated Property |
| Cp,gas | 681.79 | J/mol×K | 859.88 | Joback Calculated Property |
| η | [0.0000955; 0.0017024] | Pa×s | [371.78; 676.02] |
|
| η | 0.0017024 | Pa×s | 371.78 | Joback Calculated Property |
| η | 0.0007897 | Pa×s | 422.49 | Joback Calculated Property |
| η | 0.0004319 | Pa×s | 473.19 | Joback Calculated Property |
| η | 0.0002655 | Pa×s | 523.90 | Joback Calculated Property |
| η | 0.0001778 | Pa×s | 574.61 | Joback Calculated Property |
| η | 0.0001271 | Pa×s | 625.31 | Joback Calculated Property |
| η | 0.0000955 | Pa×s | 676.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 2-methylpentyl ester.
Sources
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