- InChI
- InChI=1S/C16H26O4/c1-4-5-6-7-12-19-15(17)10-11-16(18)20-13-8-9-14(2)3/h5-6,10-11,14H,4,7-9,12-13H2,1-3H3/b6-5+,11-10+
- InChI Key
- MRRWQERSRCFCQB-RINXSNKBSA-N
- Formula
- C16H26O4
- SMILES
- CCC=CCCOC(=O)C=CC(=O)OCCCC(C)C
- Molecular Weight1
- 282.38
- 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° | -226.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.05 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.421 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1537.87 | kPa | Joback Calculated Property |
| Inp | [1940.00; 1940.00] |
|
|
| Inp | 1940.00 | NIST | |
| Inp | 1940.00 | NIST | |
| Tboil | 725.94 | K | Joback Calculated Property |
| Tc | 913.65 | K | Joback Calculated Property |
| Tfus | 389.24 | K | Joback Calculated Property |
| Vc | 0.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.48; 770.05] | J/mol×K | [725.94; 913.65] |
|
| Cp,gas | 687.48 | J/mol×K | 725.94 | Joback Calculated Property |
| Cp,gas | 703.24 | J/mol×K | 757.23 | Joback Calculated Property |
| Cp,gas | 718.17 | J/mol×K | 788.51 | Joback Calculated Property |
| Cp,gas | 732.28 | J/mol×K | 819.80 | Joback Calculated Property |
| Cp,gas | 745.62 | J/mol×K | 851.08 | Joback Calculated Property |
| Cp,gas | 758.20 | J/mol×K | 882.37 | Joback Calculated Property |
| Cp,gas | 770.05 | J/mol×K | 913.65 | Joback Calculated Property |
| η | [0.0000639; 0.0013237] | Pa×s | [389.24; 725.94] |
|
| η | 0.0013237 | Pa×s | 389.24 | Joback Calculated Property |
| η | 0.0005810 | Pa×s | 445.36 | Joback Calculated Property |
| η | 0.0003066 | Pa×s | 501.47 | Joback Calculated Property |
| η | 0.0001840 | Pa×s | 557.59 | Joback Calculated Property |
| η | 0.0001212 | Pa×s | 613.71 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 669.82 | Joback Calculated Property |
| η | 0.0000639 | Pa×s | 725.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl trans-hex-3-enyl ester.
Sources
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