- InChI
- InChI=1S/C16H26O4/c1-4-5-6-7-8-12-19-15(17)9-10-16(18)20-13-11-14(2)3/h9-10H,2,4-8,11-13H2,1,3H3/b10-9+
- InChI Key
- QGYGNMSZHBNWCH-MDZDMXLPSA-N
- Formula
- C16H26O4
- SMILES
- C=C(C)CCOC(=O)C=CC(=O)OCCCCCCC
- Molecular Weight1
- 282.38
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -224.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -630.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.566 | Crippen Calculated Property | |
| McVol | 242.580 | ml/mol | McGowan Calculated Property |
| Pc | 1522.31 | kPa | Joback Calculated Property |
| Inp | [1967.00; 1967.00] |
|
|
| Inp | 1967.00 | NIST | |
| Inp | 1967.00 | NIST | |
| Tboil | 718.78 | K | Joback Calculated Property |
| Tc | 903.14 | K | Joback Calculated Property |
| Tfus | 393.60 | K | Joback Calculated Property |
| Vc | 0.942 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.50; 767.77] | J/mol×K | [718.78; 903.14] |
|
| Cp,gas | 685.50 | J/mol×K | 718.78 | Joback Calculated Property |
| Cp,gas | 701.18 | J/mol×K | 749.51 | Joback Calculated Property |
| Cp,gas | 716.04 | J/mol×K | 780.23 | Joback Calculated Property |
| Cp,gas | 730.11 | J/mol×K | 810.96 | Joback Calculated Property |
| Cp,gas | 743.41 | J/mol×K | 841.69 | Joback Calculated Property |
| Cp,gas | 755.95 | J/mol×K | 872.41 | Joback Calculated Property |
| Cp,gas | 767.77 | J/mol×K | 903.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptyl 3-methylbut-3-enyl ester.
Sources
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