- InChI
- InChI=1S/C21H37ClO4/c1-2-3-4-5-7-10-13-18-25-20(23)15-16-21(24)26-19-14-11-8-6-9-12-17-22/h15-16H,2-14,17-19H2,1H3/b16-15+
- InChI Key
- WKCQJAPPHZEXMS-FOCLMDBBSA-N
- Formula
- C21H37ClO4
- SMILES
-
CCCCCCCCCOC(=O)C=CC(=O)OCCCCCC
CCCl - Molecular Weight1
- 388.97
- 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° | -273.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -864.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.99 | kJ/mol | Joback Calculated Property |
| log10WS | -6.34 | Crippen Calculated Property | |
| logPoct/wat | 5.959 | Crippen Calculated Property | |
| McVol | 329.570 | ml/mol | McGowan Calculated Property |
| Pc | 1022.69 | kPa | Joback Calculated Property |
| Inp | [2804.00; 2804.00] |
|
|
| Inp | 2804.00 | NIST | |
| Inp | 2804.00 | NIST | |
| Tboil | 874.05 | K | Joback Calculated Property |
| Tc | 1070.61 | K | Joback Calculated Property |
| Tfus | 495.59 | K | Joback Calculated Property |
| Vc | 1.288 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1035.08; 1122.79] | J/mol×K | [874.05; 1070.61] |
|
| Cp,gas | 1035.08 | J/mol×K | 874.05 | Joback Calculated Property |
| Cp,gas | 1052.31 | J/mol×K | 906.81 | Joback Calculated Property |
| Cp,gas | 1068.44 | J/mol×K | 939.57 | Joback Calculated Property |
| Cp,gas | 1083.52 | J/mol×K | 972.33 | Joback Calculated Property |
| Cp,gas | 1097.59 | J/mol×K | 1005.09 | Joback Calculated Property |
| Cp,gas | 1110.66 | J/mol×K | 1037.85 | Joback Calculated Property |
| Cp,gas | 1122.79 | J/mol×K | 1070.61 | Joback Calculated Property |
| η | [0.0000342; 0.0005469] | Pa×s | [495.59; 874.05] |
|
| η | 0.0005469 | Pa×s | 495.59 | Joback Calculated Property |
| η | 0.0002655 | Pa×s | 558.67 | Joback Calculated Property |
| η | 0.0001493 | Pa×s | 621.74 | Joback Calculated Property |
| η | 0.0000933 | Pa×s | 684.82 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 747.90 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 810.97 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 874.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 8-chlorooctyl nonyl ester.
Sources
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