- InChI
- InChI=1S/C17H27Cl3O4/c1-2-3-4-5-6-7-8-9-10-13-23-15(21)11-12-16(22)24-14-17(18,19)20/h11-12H,2-10,13-14H2,1H3/b12-11+
- InChI Key
- QNUKHDVSHBDXON-VAWYXSNFSA-N
- Formula
- C17H27Cl3O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)OCC(C
l)(Cl)Cl - Molecular Weight1
- 401.75
- 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° | -328.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -822.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.56 | kJ/mol | Joback Calculated Property |
| log10WS | -6.08 | Crippen Calculated Property | |
| logPoct/wat | 5.530 | Crippen Calculated Property | |
| McVol | 297.690 | ml/mol | McGowan Calculated Property |
| Pc | 1277.33 | kPa | Joback Calculated Property |
| Inp | [2481.00; 2481.00] |
|
|
| Inp | 2481.00 | NIST | |
| Inp | 2481.00 | NIST | |
| Tboil | 854.16 | K | Joback Calculated Property |
| Tc | 1055.49 | K | Joback Calculated Property |
| Tfus | 512.77 | K | Joback Calculated Property |
| Vc | 1.151 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.52; 923.61] | J/mol×K | [854.16; 1055.49] |
|
| Cp,gas | 853.52 | J/mol×K | 854.16 | Joback Calculated Property |
| Cp,gas | 867.30 | J/mol×K | 887.71 | Joback Calculated Property |
| Cp,gas | 880.17 | J/mol×K | 921.27 | Joback Calculated Property |
| Cp,gas | 892.19 | J/mol×K | 954.82 | Joback Calculated Property |
| Cp,gas | 903.41 | J/mol×K | 988.38 | Joback Calculated Property |
| Cp,gas | 913.86 | J/mol×K | 1021.93 | Joback Calculated Property |
| Cp,gas | 923.61 | J/mol×K | 1055.49 | Joback Calculated Property |
| η | [0.0000354; 0.0004923] | Pa×s | [512.77; 854.16] |
|
| η | 0.0004923 | Pa×s | 512.77 | Joback Calculated Property |
| η | 0.0002549 | Pa×s | 569.67 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 626.57 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 683.46 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 740.36 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 797.26 | Joback Calculated Property |
| η | 0.0000354 | Pa×s | 854.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,2,2-trichloroethyl undecyl ester.
Sources
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