- InChI
- InChI=1S/C13H22O4/c1-6-9-16-11(14)7-8-12(15)17-10(2)13(3,4)5/h7-8,10H,6,9H2,1-5H3/b8-7+
- InChI Key
- OWDRQADJYYYCLG-BQYQJAHWSA-N
- Formula
- C13H22O4
- SMILES
- CCCOC(=O)C=CC(=O)OC(C)C(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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -864.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.41 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.474 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1769.87 | kPa | Joback Calculated Property |
| Inp | [1537.00; 1537.00] |
|
|
| Inp | 1537.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Tboil | 525.00 | K | Relay (1.0) Calculated Property |
| Tc | 693.15 | K | Relay (1.0) Calculated Property |
| Tfus | 278.71 | 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 | [538.47; 621.44] | J/mol×K | [613.97; 803.29] |
|
| Cp,gas | 538.47 | J/mol×K | 613.97 | Joback Calculated Property |
| Cp,gas | 554.53 | J/mol×K | 645.52 | Joback Calculated Property |
| Cp,gas | 569.66 | J/mol×K | 677.08 | Joback Calculated Property |
| Cp,gas | 583.88 | J/mol×K | 708.63 | Joback Calculated Property |
| Cp,gas | 597.24 | J/mol×K | 740.18 | Joback Calculated Property |
| Cp,gas | 609.75 | J/mol×K | 771.74 | Joback Calculated Property |
| Cp,gas | 621.44 | J/mol×K | 803.29 | Joback Calculated Property |
| η | [0.0000792; 0.0057577] | Pa×s | [303.27; 613.97] |
|
| η | 0.0057577 | Pa×s | 303.27 | Joback Calculated Property |
| η | 0.0016741 | Pa×s | 355.05 | Joback Calculated Property |
| η | 0.0006666 | Pa×s | 406.84 | Joback Calculated Property |
| η | 0.0003268 | Pa×s | 458.62 | Joback Calculated Property |
| η | 0.0001851 | Pa×s | 510.40 | Joback Calculated Property |
| η | 0.0001165 | Pa×s | 562.19 | Joback Calculated Property |
| η | 0.0000792 | Pa×s | 613.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl propyl ester.
Sources
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