- InChI
- InChI=1S/C17H29ClO4/c1-2-3-9-14-21-16(19)11-12-17(20)22-15-10-7-5-4-6-8-13-18/h11-12H,2-10,13-15H2,1H3/b12-11+
- InChI Key
- YQMHYKJAOJMLTC-VAWYXSNFSA-N
- Formula
- C17H29ClO4
- SMILES
- CCCCCOC(=O)C=CC(=O)OCCCCCCCCCl
- Molecular Weight1
- 332.86
- 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° | -307.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -782.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 4.399 | Crippen Calculated Property | |
| McVol | 273.210 | ml/mol | McGowan Calculated Property |
| Pc | 1329.07 | kPa | Joback Calculated Property |
| Inp | [2402.00; 2402.00] |
|
|
| Inp | 2402.00 | NIST | |
| Inp | 2402.00 | NIST | |
| Tboil | 782.53 | K | Joback Calculated Property |
| Tc | 968.90 | K | Joback Calculated Property |
| Tfus | 450.51 | K | Joback Calculated Property |
| Vc | 1.065 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [797.60; 878.43] | J/mol×K | [782.53; 968.90] |
|
| Cp,gas | 797.60 | J/mol×K | 782.53 | Joback Calculated Property |
| Cp,gas | 813.19 | J/mol×K | 813.59 | Joback Calculated Property |
| Cp,gas | 827.90 | J/mol×K | 844.65 | Joback Calculated Property |
| Cp,gas | 841.76 | J/mol×K | 875.72 | Joback Calculated Property |
| Cp,gas | 854.78 | J/mol×K | 906.78 | Joback Calculated Property |
| Cp,gas | 867.00 | J/mol×K | 937.84 | Joback Calculated Property |
| Cp,gas | 878.43 | J/mol×K | 968.90 | Joback Calculated Property |
| η | [0.0000613; 0.0008532] | Pa×s | [450.51; 782.53] |
|
| η | 0.0008532 | Pa×s | 450.51 | Joback Calculated Property |
| η | 0.0004328 | Pa×s | 505.85 | Joback Calculated Property |
| η | 0.0002510 | Pa×s | 561.18 | Joback Calculated Property |
| η | 0.0001605 | Pa×s | 616.52 | Joback Calculated Property |
| η | 0.0001105 | Pa×s | 671.86 | Joback Calculated Property |
| η | 0.0000805 | Pa×s | 727.19 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 782.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 8-chlorooctyl pentyl ester.
Sources
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