- InChI
- InChI=1S/C13H22O4/c1-5-9-16-12(14)7-8-13(15)17-11(6-2)10(3)4/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+
- InChI Key
- RUIRBMCGUFVVHS-BQYQJAHWSA-N
- Formula
- C13H22O4
- SMILES
- CCCOC(=O)C=CC(=O)OC(CC)C(C)C
- Molecular Weight1
- 242.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -859.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.53 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.474 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1753.60 | kPa | Joback Calculated Property |
| Inp | [1566.00; 1566.00] |
|
|
| Inp | 1566.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Tboil | 537.28 | K | Relay (1.0) Calculated Property |
| Tc | 698.21 | K | Relay (1.0) Calculated Property |
| Tfus | 247.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [535.91; 618.03] | J/mol×K | [616.76; 800.20] |
|
| Cp,gas | 535.91 | J/mol×K | 616.76 | Joback Calculated Property |
| Cp,gas | 551.60 | J/mol×K | 647.33 | Joback Calculated Property |
| Cp,gas | 566.47 | J/mol×K | 677.91 | Joback Calculated Property |
| Cp,gas | 580.53 | J/mol×K | 708.48 | Joback Calculated Property |
| Cp,gas | 593.80 | J/mol×K | 739.06 | Joback Calculated Property |
| Cp,gas | 606.30 | J/mol×K | 769.63 | Joback Calculated Property |
| Cp,gas | 618.03 | J/mol×K | 800.20 | Joback Calculated Property |
| η | [0.0000835; 0.0070816] | Pa×s | [285.85; 616.76] |
|
| η | 0.0070816 | Pa×s | 285.85 | Joback Calculated Property |
| η | 0.0018569 | Pa×s | 341.00 | Joback Calculated Property |
| η | 0.0007068 | Pa×s | 396.15 | Joback Calculated Property |
| η | 0.0003407 | Pa×s | 451.31 | Joback Calculated Property |
| η | 0.0001925 | Pa×s | 506.46 | Joback Calculated Property |
| η | 0.0001217 | Pa×s | 561.61 | Joback Calculated Property |
| η | 0.0000835 | Pa×s | 616.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpent-3-yl propyl ester.
Sources
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