- InChI
- InChI=1S/C14H21Cl3O4/c1-2-3-4-5-6-7-10-20-12(18)8-9-13(19)21-11-14(15,16)17/h8-9H,2-7,10-11H2,1H3/b9-8+
- InChI Key
- ZKKSUBLUEFJBSP-CMDGGOBGSA-N
- Formula
- C14H21Cl3O4
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)OCC(Cl)(
Cl)Cl - Molecular Weight1
- 359.67
- 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° | -353.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 4.360 | Crippen Calculated Property | |
| McVol | 255.420 | ml/mol | McGowan Calculated Property |
| Pc | 1587.28 | kPa | Joback Calculated Property |
| Inp | [2172.00; 2172.00] |
|
|
| Inp | 2172.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Tboil | 785.52 | K | Joback Calculated Property |
| Tc | 986.60 | K | Joback Calculated Property |
| Tfus | 478.96 | K | Joback Calculated Property |
| Vc | 0.984 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.59; 748.95] | J/mol×K | [785.52; 986.60] |
|
| Cp,gas | 684.59 | J/mol×K | 785.52 | Joback Calculated Property |
| Cp,gas | 697.25 | J/mol×K | 819.03 | Joback Calculated Property |
| Cp,gas | 709.08 | J/mol×K | 852.55 | Joback Calculated Property |
| Cp,gas | 720.13 | J/mol×K | 886.06 | Joback Calculated Property |
| Cp,gas | 730.43 | J/mol×K | 919.58 | Joback Calculated Property |
| Cp,gas | 740.03 | J/mol×K | 953.09 | Joback Calculated Property |
| Cp,gas | 748.95 | J/mol×K | 986.60 | Joback Calculated Property |
| η | [0.0000567; 0.0007068] | Pa×s | [478.96; 785.52] |
|
| η | 0.0007068 | Pa×s | 478.96 | Joback Calculated Property |
| η | 0.0003790 | Pa×s | 530.05 | Joback Calculated Property |
| η | 0.0002268 | Pa×s | 581.15 | Joback Calculated Property |
| η | 0.0001475 | Pa×s | 632.24 | Joback Calculated Property |
| η | 0.0001022 | Pa×s | 683.33 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 734.43 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 785.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octyl 2,2,2-trichloroethyl ester.
Sources
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