- InChI
- InChI=1S/C18H32O4/c1-5-9-15(10-6-2)21-17(19)13-14-18(20)22-16(11-7-3)12-8-4/h13-16H,5-12H2,1-4H3/b14-13+
- InChI Key
- NNJNXZGVWDWFTC-BUHFOSPRSA-N
- Formula
- C18H32O4
- SMILES
-
CCCC(CCC)OC(=O)C=CC(=O)OC(CCC)
CCC - Molecular Weight1
- 312.44
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point 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 | -957.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.54 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.567 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Inp | [1969.00; 1969.00] |
|
|
| Inp | 1969.00 | NIST | |
| Inp | 1969.00 | NIST | |
| Tboil | 573.60 | K | Relay (1.0) Calculated Property |
| Tfus | 237.12 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, 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 | [811.05; 901.84] | J/mol×K | [731.16; 911.24] |
|
| Cp,gas | 811.05 | J/mol×K | 731.16 | Joback Calculated Property |
| Cp,gas | 828.58 | J/mol×K | 761.17 | Joback Calculated Property |
| Cp,gas | 845.12 | J/mol×K | 791.19 | Joback Calculated Property |
| Cp,gas | 860.69 | J/mol×K | 821.20 | Joback Calculated Property |
| Cp,gas | 875.32 | J/mol×K | 851.21 | Joback Calculated Property |
| Cp,gas | 889.03 | J/mol×K | 881.22 | Joback Calculated Property |
| Cp,gas | 901.84 | J/mol×K | 911.24 | Joback Calculated Property |
| η | [0.0000416; 0.0034199] | Pa×s | [342.20; 731.16] |
|
| η | 0.0034199 | Pa×s | 342.20 | Joback Calculated Property |
| η | 0.0009134 | Pa×s | 407.03 | Joback Calculated Property |
| η | 0.0003506 | Pa×s | 471.85 | Joback Calculated Property |
| η | 0.0001696 | Pa×s | 536.68 | Joback Calculated Property |
| η | 0.0000960 | Pa×s | 601.51 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 666.33 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 731.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(4-heptyl) ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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