- InChI
- InChI=1S/C20H35ClO4/c1-17(15-20(2,3)4)16-25-19(23)12-11-18(22)24-14-10-8-6-5-7-9-13-21/h11-12,17H,5-10,13-16H2,1-4H3/b12-11+
- InChI Key
- YCGNJPLNGBLDBL-VAWYXSNFSA-N
- Formula
- C20H35ClO4
- SMILES
-
CC(COC(=O)C=CC(=O)OCCCCCCCCCl)
CC(C)(C)C - Molecular Weight1
- 374.94
- 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° | -281.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -858.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.44 | Crippen Calculated Property | |
| logPoct/wat | 5.281 | Crippen Calculated Property | |
| McVol | 315.480 | ml/mol | McGowan Calculated Property |
| Pc | 1108.15 | kPa | Joback Calculated Property |
| Inp | [2541.00; 2541.00] |
|
|
| Inp | 2541.00 | NIST | |
| Inp | 2541.00 | NIST | |
| Tboil | 847.50 | K | Joback Calculated Property |
| Tc | 1043.50 | K | Joback Calculated Property |
| Tfus | 471.74 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [975.80; 1062.22] | J/mol×K | [847.50; 1043.50] |
|
| Cp,gas | 975.80 | J/mol×K | 847.50 | Joback Calculated Property |
| Cp,gas | 992.64 | J/mol×K | 880.17 | Joback Calculated Property |
| Cp,gas | 1008.43 | J/mol×K | 912.83 | Joback Calculated Property |
| Cp,gas | 1023.24 | J/mol×K | 945.50 | Joback Calculated Property |
| Cp,gas | 1037.11 | J/mol×K | 978.17 | Joback Calculated Property |
| Cp,gas | 1050.09 | J/mol×K | 1010.84 | Joback Calculated Property |
| Cp,gas | 1062.22 | J/mol×K | 1043.50 | Joback Calculated Property |
| η | [0.0000287; 0.0006736] | Pa×s | [471.74; 847.50] |
|
| η | 0.0006736 | Pa×s | 471.74 | Joback Calculated Property |
| η | 0.0002926 | Pa×s | 534.37 | Joback Calculated Property |
| η | 0.0001514 | Pa×s | 596.99 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 659.62 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 722.25 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 784.87 | Joback Calculated Property |
| η | 0.0000287 | Pa×s | 847.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 8-chlorooctyl ester.
Sources
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