- InChI
- InChI=1S/C16H18Cl2O4/c1-3-5-11(2)10-21-14(19)8-9-15(20)22-13-7-4-6-12(17)16(13)18/h4,6-9,11H,3,5,10H2,1-2H3/b9-8+
- InChI Key
- ZFIZWJDXTWUCJJ-CMDGGOBGSA-N
- Formula
- C16H18Cl2O4
- SMILES
-
CCCC(C)COC(=O)C=CC(=O)Oc1cccc(
Cl)c1Cl - Molecular Weight1
- 345.22
- 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° | -236.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.46 | kJ/mol | Joback Calculated Property |
| log10WS | -4.98 | Crippen Calculated Property | |
| logPoct/wat | 4.434 | Crippen Calculated Property | |
| McVol | 247.600 | ml/mol | McGowan Calculated Property |
| Pc | 1772.85 | kPa | Joback Calculated Property |
| Inp | [2361.00; 2361.00] |
|
|
| Inp | 2361.00 | NIST | |
| Inp | 2361.00 | NIST | |
| Tboil | 833.28 | K | Joback Calculated Property |
| Tc | 1052.04 | K | Joback Calculated Property |
| Tfus | 505.62 | K | Joback Calculated Property |
| Vc | 0.944 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.75; 733.05] | J/mol×K | [833.28; 1052.04] |
|
| Cp,gas | 672.75 | J/mol×K | 833.28 | Joback Calculated Property |
| Cp,gas | 685.18 | J/mol×K | 869.74 | Joback Calculated Property |
| Cp,gas | 696.62 | J/mol×K | 906.20 | Joback Calculated Property |
| Cp,gas | 707.11 | J/mol×K | 942.66 | Joback Calculated Property |
| Cp,gas | 716.66 | J/mol×K | 979.12 | Joback Calculated Property |
| Cp,gas | 725.30 | J/mol×K | 1015.58 | Joback Calculated Property |
| Cp,gas | 733.05 | J/mol×K | 1052.04 | Joback Calculated Property |
| η | [0.0000583; 0.0005311] | Pa×s | [505.62; 833.28] |
|
| η | 0.0005311 | Pa×s | 505.62 | Joback Calculated Property |
| η | 0.0003071 | Pa×s | 560.23 | Joback Calculated Property |
| η | 0.0001957 | Pa×s | 614.84 | Joback Calculated Property |
| η | 0.0001343 | Pa×s | 669.45 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 724.06 | Joback Calculated Property |
| η | 0.0000740 | Pa×s | 778.67 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 833.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpentyl 2,3-dichlorophenyl ester.
Sources
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