- InChI
- InChI=1S/C13H11Cl3O4/c1-2-7-19-10(17)5-6-11(18)20-13-9(15)4-3-8(14)12(13)16/h3-6H,2,7H2,1H3/b6-5+
- InChI Key
- HXALDMWGQWGCOL-AATRIKPKSA-N
- Formula
- C13H11Cl3O4
- SMILES
-
CCCOC(=O)C=CC(=O)Oc1c(Cl)ccc(C
l)c1Cl - Molecular Weight1
- 337.58
- 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° | -281.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.65 | Crippen Calculated Property | |
| logPoct/wat | 4.062 | Crippen Calculated Property | |
| McVol | 217.570 | ml/mol | McGowan Calculated Property |
| Pc | 2169.38 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2241.00] |
|
|
| Inp | 2241.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 807.49 | K | Joback Calculated Property |
| Tc | 1034.36 | K | Joback Calculated Property |
| Tfus | 529.25 | K | Joback Calculated Property |
| Vc | 0.831 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.48; 576.95] | J/mol×K | [807.49; 1034.36] |
|
| Cp,gas | 529.48 | J/mol×K | 807.49 | Joback Calculated Property |
| Cp,gas | 539.45 | J/mol×K | 845.30 | Joback Calculated Property |
| Cp,gas | 548.59 | J/mol×K | 883.11 | Joback Calculated Property |
| Cp,gas | 556.89 | J/mol×K | 920.92 | Joback Calculated Property |
| Cp,gas | 564.38 | J/mol×K | 958.73 | Joback Calculated Property |
| Cp,gas | 571.06 | J/mol×K | 996.55 | Joback Calculated Property |
| Cp,gas | 576.95 | J/mol×K | 1034.36 | Joback Calculated Property |
| η | [0.0000843; 0.0004707] | Pa×s | [529.25; 807.49] |
|
| η | 0.0004707 | Pa×s | 529.25 | Joback Calculated Property |
| η | 0.0003149 | Pa×s | 575.62 | Joback Calculated Property |
| η | 0.0002237 | Pa×s | 622.00 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 668.37 | Joback Calculated Property |
| η | 0.0001289 | Pa×s | 714.74 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 761.12 | Joback Calculated Property |
| η | 0.0000843 | Pa×s | 807.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, propyl 2,3,6-trichlorophenyl ester.
Sources
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