- InChI
- InChI=1S/C16H17Cl3O4/c1-4-13(9(2)3)22-14(20)5-6-15(21)23-16-11(18)7-10(17)8-12(16)19/h5-9,13H,4H2,1-3H3/b6-5+
- InChI Key
- ULNIYEKYZALERC-AATRIKPKSA-N
- Formula
- C16H17Cl3O4
- SMILES
-
CCC(OC(=O)C=CC(=O)Oc1c(Cl)cc(C
l)cc1Cl)C(C)C - Molecular Weight1
- 379.66
- 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° | -260.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 5.086 | Crippen Calculated Property | |
| McVol | 259.840 | ml/mol | McGowan Calculated Property |
| Pc | 1708.95 | kPa | Joback Calculated Property |
| Inp | [2336.00; 2336.00] |
|
|
| Inp | 2336.00 | NIST | |
| Inp | 2336.00 | NIST | |
| Tboil | 875.25 | K | Joback Calculated Property |
| Tc | 1101.08 | K | Joback Calculated Property |
| Tfus | 533.06 | K | Joback Calculated Property |
| Vc | 0.987 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.82; 746.92] | J/mol×K | [875.25; 1101.08] |
|
| Cp,gas | 693.82 | J/mol×K | 875.25 | Joback Calculated Property |
| Cp,gas | 705.15 | J/mol×K | 912.89 | Joback Calculated Property |
| Cp,gas | 715.45 | J/mol×K | 950.53 | Joback Calculated Property |
| Cp,gas | 724.76 | J/mol×K | 988.16 | Joback Calculated Property |
| Cp,gas | 733.09 | J/mol×K | 1025.80 | Joback Calculated Property |
| Cp,gas | 740.47 | J/mol×K | 1063.44 | Joback Calculated Property |
| Cp,gas | 746.92 | J/mol×K | 1101.08 | Joback Calculated Property |
| η | [0.0000467; 0.0004211] | Pa×s | [533.06; 875.25] |
|
| η | 0.0004211 | Pa×s | 533.06 | Joback Calculated Property |
| η | 0.0002445 | Pa×s | 590.09 | Joback Calculated Property |
| η | 0.0001562 | Pa×s | 647.12 | Joback Calculated Property |
| η | 0.0001073 | Pa×s | 704.15 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 761.19 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 818.22 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 875.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl 2-methylpent-3-yl ester.
Sources
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