- InChI
- InChI=1S/C15H15Cl3O4/c1-2-3-4-9-21-12(19)7-8-13(20)22-15-11(17)6-5-10(16)14(15)18/h5-8H,2-4,9H2,1H3/b8-7+
- InChI Key
- XANIAYLQQMRBCA-BQYQJAHWSA-N
- Formula
- C15H15Cl3O4
- SMILES
-
CCCCCOC(=O)C=CC(=O)Oc1c(Cl)ccc
(Cl)c1Cl - Molecular Weight1
- 365.64
- 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° | -264.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 4.842 | Crippen Calculated Property | |
| McVol | 245.750 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Inp | 2464.00 | NIST | |
| Tboil | 853.25 | K | Joback Calculated Property |
| Tc | 1075.15 | K | Joback Calculated Property |
| Tfus | 551.79 | K | Joback Calculated Property |
| Vc | 0.943 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.32; 688.71] | J/mol×K | [853.25; 1075.15] | 
|
| Cp,gas | 637.32 | J/mol×K | 853.25 | Joback Calculated Property |
| Cp,gas | 648.11 | J/mol×K | 890.23 | Joback Calculated Property |
| Cp,gas | 657.98 | J/mol×K | 927.22 | Joback Calculated Property |
| Cp,gas | 666.96 | J/mol×K | 964.20 | Joback Calculated Property |
| Cp,gas | 675.06 | J/mol×K | 1001.18 | Joback Calculated Property |
| Cp,gas | 682.30 | J/mol×K | 1038.17 | Joback Calculated Property |
| Cp,gas | 688.71 | J/mol×K | 1075.15 | Joback Calculated Property |
| η | [0.0000642; 0.0003929] | Pa×s | [551.79; 853.25] |
|
| η | 0.0003929 | Pa×s | 551.79 | Joback Calculated Property |
| η | 0.0002561 | Pa×s | 602.03 | Joback Calculated Property |
| η | 0.0001783 | Pa×s | 652.28 | Joback Calculated Property |
| η | 0.0001308 | Pa×s | 702.52 | Joback Calculated Property |
| η | 0.0000999 | Pa×s | 752.76 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 803.01 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 853.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentyl 2,3,6-trichlorophenyl ester.
Sources
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