- InChI
- InChI=1S/C12H20O4/c1-5-8-15-11(13)6-7-12(14)16-10(4)9(2)3/h6-7,9-10H,5,8H2,1-4H3/b7-6+
- InChI Key
- YVZBQCUKWFPQRV-VOTSOKGWSA-N
- Formula
- C12H20O4
- SMILES
- CCCOC(=O)C=CC(=O)OC(C)C(C)C
- Molecular Weight1
- 228.28
- 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 | -840.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.34 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.083 | Crippen Calculated Property | |
| McVol | 190.520 | ml/mol | McGowan Calculated Property |
| Pc | 1903.58 | kPa | Joback Calculated Property |
| Inp | 1480.00 | NIST | |
| Tboil | 517.88 | K | Relay (1.0) Calculated Property |
| Tc | 683.04 | K | Relay (1.0) Calculated Property |
| Tfus | 258.72 | 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 | [484.81; 564.29] | J/mol×K | [593.88; 779.08] | 
|
| Cp,gas | 484.81 | J/mol×K | 593.88 | Joback Calculated Property |
| Cp,gas | 499.98 | J/mol×K | 624.75 | Joback Calculated Property |
| Cp,gas | 514.36 | J/mol×K | 655.61 | Joback Calculated Property |
| Cp,gas | 527.97 | J/mol×K | 686.48 | Joback Calculated Property |
| Cp,gas | 540.82 | J/mol×K | 717.35 | Joback Calculated Property |
| Cp,gas | 552.92 | J/mol×K | 748.21 | Joback Calculated Property |
| Cp,gas | 564.29 | J/mol×K | 779.08 | Joback Calculated Property |
| η | [0.0000949; 0.0081145] | Pa×s | [274.58; 593.88] |
|
| η | 0.0081145 | Pa×s | 274.58 | Joback Calculated Property |
| η | 0.0021181 | Pa×s | 327.80 | Joback Calculated Property |
| η | 0.0008046 | Pa×s | 381.01 | Joback Calculated Property |
| η | 0.0003875 | Pa×s | 434.23 | Joback Calculated Property |
| η | 0.0002189 | Pa×s | 487.45 | Joback Calculated Property |
| η | 0.0001383 | Pa×s | 540.66 | Joback Calculated Property |
| η | 0.0000949 | Pa×s | 593.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-methylbut-2-yl propyl ester.
Sources
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