- InChI
- InChI=1S/C18H29Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h12-13H,2-11,14-15H2,1H3/b13-12+
- InChI Key
- IFPVIGYQBLXYMK-OUKQBFOZSA-N
- Formula
- C18H29Cl3O4
- SMILES
-
CCCCCCCCCCCCOC(=O)C=CC(=O)OCC(
Cl)(Cl)Cl - Molecular Weight1
- 415.78
- 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° | -319.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -843.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.79 | kJ/mol | Joback Calculated Property |
| log10WS | -6.50 | Crippen Calculated Property | |
| logPoct/wat | 5.920 | Crippen Calculated Property | |
| McVol | 311.780 | ml/mol | McGowan Calculated Property |
| Pc | 1194.00 | kPa | Joback Calculated Property |
| Inp | [2584.00; 2584.00] |
|
|
| Inp | 2584.00 | NIST | |
| Inp | 2584.00 | NIST | |
| Tboil | 877.04 | K | Joback Calculated Property |
| Tc | 1079.86 | K | Joback Calculated Property |
| Tfus | 524.04 | K | Joback Calculated Property |
| Vc | 1.208 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [911.61; 983.50] | J/mol×K | [877.04; 1079.86] |
|
| Cp,gas | 911.61 | J/mol×K | 877.04 | Joback Calculated Property |
| Cp,gas | 925.74 | J/mol×K | 910.84 | Joback Calculated Property |
| Cp,gas | 938.95 | J/mol×K | 944.65 | Joback Calculated Property |
| Cp,gas | 951.28 | J/mol×K | 978.45 | Joback Calculated Property |
| Cp,gas | 962.78 | J/mol×K | 1012.25 | Joback Calculated Property |
| Cp,gas | 973.50 | J/mol×K | 1046.05 | Joback Calculated Property |
| Cp,gas | 983.50 | J/mol×K | 1079.86 | Joback Calculated Property |
| η | [0.0000301; 0.0004337] | Pa×s | [524.04; 877.04] |
|
| η | 0.0004337 | Pa×s | 524.04 | Joback Calculated Property |
| η | 0.0002222 | Pa×s | 582.87 | Joback Calculated Property |
| η | 0.0001287 | Pa×s | 641.71 | Joback Calculated Property |
| η | 0.0000817 | Pa×s | 700.54 | Joback Calculated Property |
| η | 0.0000556 | Pa×s | 759.37 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 818.21 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 877.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, dodecyl 2,2,2-trichloroethyl ester.
Sources
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