- InChI
- InChI=1S/C12H18O4/c1-4-6-10(3)16-12(14)8-7-11(13)15-9-5-2/h4,7-8,10H,1,5-6,9H2,2-3H3/b8-7+
- InChI Key
- FFCNSQCGMWSGEA-BQYQJAHWSA-N
- Formula
- C12H18O4
- SMILES
- C=CCC(C)OC(=O)C=CC(=O)OCCC
- Molecular Weight1
- 226.27
- 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 | -735.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.79 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.004 | Crippen Calculated Property | |
| McVol | 186.220 | ml/mol | McGowan Calculated Property |
| Pc | 2111.94 | kPa | Joback Calculated Property |
| Inp | 1504.00 | NIST | |
| Tboil | 524.73 | K | Relay (1.0) Calculated Property |
| Tc | 688.24 | K | Relay (1.0) Calculated Property |
| Tfus | 235.90 | 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 | [473.65; 546.19] | J/mol×K | [626.94; 816.65] | 
|
| Cp,gas | 473.65 | J/mol×K | 626.94 | Joback Calculated Property |
| Cp,gas | 487.42 | J/mol×K | 658.56 | Joback Calculated Property |
| Cp,gas | 500.50 | J/mol×K | 690.18 | Joback Calculated Property |
| Cp,gas | 512.90 | J/mol×K | 721.79 | Joback Calculated Property |
| Cp,gas | 524.64 | J/mol×K | 753.41 | Joback Calculated Property |
| Cp,gas | 535.74 | J/mol×K | 785.03 | Joback Calculated Property |
| Cp,gas | 546.19 | J/mol×K | 816.65 | Joback Calculated Property |
| η | [0.0001266; 0.0019354] | Pa×s | [347.48; 626.94] |
|
| η | 0.0019354 | Pa×s | 347.48 | Joback Calculated Property |
| η | 0.0009391 | Pa×s | 394.06 | Joback Calculated Property |
| η | 0.0005310 | Pa×s | 440.63 | Joback Calculated Property |
| η | 0.0003348 | Pa×s | 487.21 | Joback Calculated Property |
| η | 0.0002288 | Pa×s | 533.79 | Joback Calculated Property |
| η | 0.0001662 | Pa×s | 580.36 | Joback Calculated Property |
| η | 0.0001266 | Pa×s | 626.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pent-4-en-2-yl propyl ester.
Sources
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