- InChI
- InChI=1S/C18H31ClO4/c1-3-10-16(2)15-23-18(21)12-11-17(20)22-14-9-7-5-4-6-8-13-19/h11-12,16H,3-10,13-15H2,1-2H3/b12-11+
- InChI Key
- OGIGQBFRBGAXHX-VAWYXSNFSA-N
- Formula
- C18H31ClO4
- SMILES
-
CCCC(C)COC(=O)C=CC(=O)OCCCCCCC
CCl - Molecular Weight1
- 346.89
- 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 | -976.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.15 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.645 | Crippen Calculated Property | |
| McVol | 287.300 | ml/mol | McGowan Calculated Property |
| Inp | [2436.00; 2436.00] |
|
|
| Inp | 2436.00 | NIST | |
| Inp | 2436.00 | NIST | |
| Tboil | 607.55 | K | Relay (1.0) Calculated Property |
| Tfus | 262.96 | 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 | [842.38; 926.06] | J/mol×K | [769.03; 952.60] |
|
| Cp,gas | 842.38 | J/mol×K | 769.03 | Joback Calculated Property |
| Cp,gas | 858.71 | J/mol×K | 799.62 | Joback Calculated Property |
| Cp,gas | 874.05 | J/mol×K | 830.22 | Joback Calculated Property |
| Cp,gas | 888.43 | J/mol×K | 860.81 | Joback Calculated Property |
| Cp,gas | 901.88 | J/mol×K | 891.41 | Joback Calculated Property |
| Cp,gas | 914.41 | J/mol×K | 922.00 | Joback Calculated Property |
| Cp,gas | 926.06 | J/mol×K | 952.60 | Joback Calculated Property |
| η | [0.0000387; 0.0017457] | Pa×s | [387.12; 769.03] |
|
| η | 0.0017457 | Pa×s | 387.12 | Joback Calculated Property |
| η | 0.0005908 | Pa×s | 450.77 | Joback Calculated Property |
| η | 0.0002615 | Pa×s | 514.42 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 578.08 | Joback Calculated Property |
| η | 0.0000832 | Pa×s | 641.73 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 705.38 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 769.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpentyl 8-chlorooctyl 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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