- InChI
- InChI=1S/C14H13Cl3O4/c1-2-3-6-20-13(18)4-5-14(19)21-12-8-10(16)9(15)7-11(12)17/h4-5,7-8H,2-3,6H2,1H3/b5-4+
- InChI Key
- JCQGTZRZRUGTAR-SNAWJCMRSA-N
- Formula
- C14H13Cl3O4
- SMILES
-
CCCCOC(=O)C=CC(=O)Oc1cc(Cl)c(C
l)cc1Cl - Molecular Weight1
- 351.61
- 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° | -272.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 4.452 | Crippen Calculated Property | |
| McVol | 231.660 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | [2333.00; 2333.00] |
|
|
| Inp | 2333.00 | NIST | |
| Inp | 2333.00 | NIST | |
| Tboil | 830.37 | K | Joback Calculated Property |
| Tc | 1054.44 | K | Joback Calculated Property |
| Tfus | 540.52 | K | Joback Calculated Property |
| Vc | 0.886 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [582.90; 632.50] | J/mol×K | [830.37; 1054.44] |
|
| Cp,gas | 582.90 | J/mol×K | 830.37 | Joback Calculated Property |
| Cp,gas | 593.31 | J/mol×K | 867.72 | Joback Calculated Property |
| Cp,gas | 602.84 | J/mol×K | 905.06 | Joback Calculated Property |
| Cp,gas | 611.51 | J/mol×K | 942.41 | Joback Calculated Property |
| Cp,gas | 619.33 | J/mol×K | 979.75 | Joback Calculated Property |
| Cp,gas | 626.32 | J/mol×K | 1017.10 | Joback Calculated Property |
| Cp,gas | 632.50 | J/mol×K | 1054.44 | Joback Calculated Property |
| η | [0.0000737; 0.0004310] | Pa×s | [540.52; 830.37] |
|
| η | 0.0004310 | Pa×s | 540.52 | Joback Calculated Property |
| η | 0.0002846 | Pa×s | 588.83 | Joback Calculated Property |
| η | 0.0002001 | Pa×s | 637.14 | Joback Calculated Property |
| η | 0.0001479 | Pa×s | 685.45 | Joback Calculated Property |
| η | 0.0001137 | Pa×s | 733.75 | Joback Calculated Property |
| η | 0.0000903 | Pa×s | 782.06 | Joback Calculated Property |
| η | 0.0000737 | Pa×s | 830.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 2,4,5-trichlorophenyl ester.
Sources
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