- InChI
- InChI=1S/C18H22Cl2O4/c1-3-5-8-13(7-4-2)23-16(21)11-12-17(22)24-15-10-6-9-14(19)18(15)20/h6,9-13H,3-5,7-8H2,1-2H3/b12-11+
- InChI Key
- RKBYZZLQSHUYMJ-VAWYXSNFSA-N
- Formula
- C18H22Cl2O4
- SMILES
-
CCCCC(CCC)OC(=O)C=CC(=O)Oc1ccc
c(Cl)c1Cl - Molecular Weight1
- 373.27
- 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 | 0.8796 | Relay (... Calculated Property | |
| ΔfG° | -220.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.91 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -6.48 | Relay (... Calculated Property | |
| logPoct/wat | 5.357 | Crippen Calculated Property | |
| McVol | 275.780 | ml/mol | McGowan Calculated Property |
| Pc | 1517.57 | kPa | Joback Calculated Property |
| Inp | [2487.00; 2487.00] |
|
|
| Inp | 2487.00 | NIST | |
| Inp | 2487.00 | NIST | |
| Tboil | 623.77 | K | Relay (... Calculated Property |
| Tc | 861.37 | K | Relay (... Calculated Property |
| Tfus | 295.66 | K | Relay (... Calculated Property |
| Vc | 0.972 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [785.49; 848.20] | J/mol×K | [879.04; 1095.34] |
|
| Cp,gas | 785.49 | J/mol×K | 879.04 | Joback Calculated Property |
| Cp,gas | 798.45 | J/mol×K | 915.09 | Joback Calculated Property |
| Cp,gas | 810.36 | J/mol×K | 951.14 | Joback Calculated Property |
| Cp,gas | 821.26 | J/mol×K | 987.19 | Joback Calculated Property |
| Cp,gas | 831.18 | J/mol×K | 1023.24 | Joback Calculated Property |
| Cp,gas | 840.15 | J/mol×K | 1059.29 | Joback Calculated Property |
| Cp,gas | 848.20 | J/mol×K | 1095.34 | Joback Calculated Property |
| η | [0.0000439; 0.0004334] | Pa×s | [528.16; 879.04] |
|
| η | 0.0004334 | Pa×s | 528.16 | Joback Calculated Property |
| η | 0.0002447 | Pa×s | 586.64 | Joback Calculated Property |
| η | 0.0001532 | Pa×s | 645.12 | Joback Calculated Property |
| η | 0.0001037 | Pa×s | 703.60 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 762.08 | Joback Calculated Property |
| η | 0.0000561 | Pa×s | 820.56 | Joback Calculated Property |
| η | 0.0000439 | Pa×s | 879.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-octyl 2,3-dichlorophenyl ester.
Sources
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