- InChI
- InChI=1S/C15H15Cl3O4/c1-9(2)5-6-21-13(19)3-4-14(20)22-15-11(17)7-10(16)8-12(15)18/h3-4,7-9H,5-6H2,1-2H3/b4-3+
- InChI Key
- HWGBOSXEIFMYRK-ONEGZZNKSA-N
- Formula
- C15H15Cl3O4
- SMILES
-
CC(C)CCOC(=O)C=CC(=O)Oc1c(Cl)c
c(Cl)cc1Cl - 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° | -266.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.28 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.698 | Crippen Calculated Property | |
| McVol | 245.750 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | [2317.00; 2317.00] |
|
|
| Inp | 2317.00 | NIST | |
| Inp | 2317.00 | NIST | |
| Tboil | 852.81 | K | Joback Calculated Property |
| Tc | 1077.69 | K | Joback Calculated Property |
| Tfus | 536.79 | K | Joback Calculated Property |
| Vc | 0.936 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.91; 689.48] | J/mol×K | [852.81; 1077.69] |
|
| Cp,gas | 637.91 | J/mol×K | 852.81 | Joback Calculated Property |
| Cp,gas | 648.82 | J/mol×K | 890.29 | Joback Calculated Property |
| Cp,gas | 658.78 | J/mol×K | 927.77 | Joback Calculated Property |
| Cp,gas | 667.80 | J/mol×K | 965.25 | Joback Calculated Property |
| Cp,gas | 675.91 | J/mol×K | 1002.73 | Joback Calculated Property |
| Cp,gas | 683.13 | J/mol×K | 1040.21 | Joback Calculated Property |
| Cp,gas | 689.48 | J/mol×K | 1077.69 | Joback Calculated Property |
| η | [0.0000588; 0.0004255] | Pa×s | [536.79; 852.81] |
|
| η | 0.0004255 | Pa×s | 536.79 | Joback Calculated Property |
| η | 0.0002640 | Pa×s | 589.46 | Joback Calculated Property |
| η | 0.0001772 | Pa×s | 642.13 | Joback Calculated Property |
| η | 0.0001263 | Pa×s | 694.80 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 747.47 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 800.14 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 852.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-methylbutyl 2,4,6-trichlorophenyl ester.
Sources
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