- InChI
- InChI=1S/C18H21Cl3O4/c1-2-3-4-5-6-7-12-24-15(22)10-11-16(23)25-18-14(20)9-8-13(19)17(18)21/h8-11H,2-7,12H2,1H3/b11-10+
- InChI Key
- IRUIEEPNBKTVAT-ZHACJKMWSA-N
- Formula
- C18H21Cl3O4
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)Oc1c(Cl)
ccc(Cl)c1Cl - Molecular Weight1
- 407.72
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9710 | Relay (... Calculated Property | |
| ΔfG° | -239.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.24 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 53.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -7.19 | Relay (... Calculated Property | |
| logPoct/wat | 6.012 | Crippen Calculated Property | |
| McVol | 288.020 | ml/mol | McGowan Calculated Property |
| Pc | 1449.04 | kPa | Joback Calculated Property |
| Inp | 2785.00 | NIST | |
| Tboil | 629.47 | K | Relay (... Calculated Property |
| Tc | 889.05 | K | Relay (... Calculated Property |
| Tfus | 329.43 | K | Relay (... Calculated Property |
| Vc | 1.033 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.90; 861.21] | J/mol×K | [921.89; 1141.42] | 
|
| Cp,gas | 805.90 | J/mol×K | 921.89 | Joback Calculated Property |
| Cp,gas | 817.57 | J/mol×K | 958.48 | Joback Calculated Property |
| Cp,gas | 828.23 | J/mol×K | 995.07 | Joback Calculated Property |
| Cp,gas | 837.89 | J/mol×K | 1031.66 | Joback Calculated Property |
| Cp,gas | 846.58 | J/mol×K | 1068.25 | Joback Calculated Property |
| Cp,gas | 854.35 | J/mol×K | 1104.83 | Joback Calculated Property |
| Cp,gas | 861.21 | J/mol×K | 1141.42 | Joback Calculated Property |
| η | [0.0000418; 0.0002906] | Pa×s | [585.60; 921.89] |
|
| η | 0.0002906 | Pa×s | 585.60 | Joback Calculated Property |
| η | 0.0001827 | Pa×s | 641.65 | Joback Calculated Property |
| η | 0.0001237 | Pa×s | 697.70 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 753.75 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 809.79 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 865.84 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 921.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octyl 2,3,6-trichlorophenyl ester.
Sources
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