- InChI
- InChI=1S/C15H16Cl2O4/c1-2-3-4-7-20-14(18)5-6-15(19)21-13-9-11(16)8-12(17)10-13/h5-6,8-10H,2-4,7H2,1H3/b6-5+
- InChI Key
- RXVXYTPKGNCKMZ-AATRIKPKSA-N
- Formula
- C15H16Cl2O4
- SMILES
-
CCCCCOC(=O)C=CC(=O)Oc1cc(Cl)cc
(Cl)c1 - Molecular Weight1
- 331.19
- 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 | 0.8308 | Relay (1.0) Calculated Property | |
| ΔfG° | -242.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -693.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.188 | Crippen Calculated Property | |
| McVol | 233.510 | ml/mol | McGowan Calculated Property |
| Pc | 1911.91 | kPa | Joback Calculated Property |
| Inp | [2313.00; 2313.00] |
|
|
| Inp | 2313.00 | NIST | |
| Inp | 2313.00 | NIST | |
| Tboil | 601.84 | K | Relay (1.0) Calculated Property |
| Tc | 828.11 | K | Relay (1.0) Calculated Property |
| Tfus | 311.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.826 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.15; 675.49] | J/mol×K | [810.84; 1028.62] |
|
| Cp,gas | 617.15 | J/mol×K | 810.84 | Joback Calculated Property |
| Cp,gas | 629.09 | J/mol×K | 847.14 | Joback Calculated Property |
| Cp,gas | 640.12 | J/mol×K | 883.43 | Joback Calculated Property |
| Cp,gas | 650.25 | J/mol×K | 919.73 | Joback Calculated Property |
| Cp,gas | 659.51 | J/mol×K | 956.03 | Joback Calculated Property |
| Cp,gas | 667.91 | J/mol×K | 992.32 | Joback Calculated Property |
| Cp,gas | 675.49 | J/mol×K | 1028.62 | Joback Calculated Property |
| η | [0.0000729; 0.0005264] | Pa×s | [509.35; 810.84] |
|
| η | 0.0005264 | Pa×s | 509.35 | Joback Calculated Property |
| η | 0.0003265 | Pa×s | 559.60 | Joback Calculated Property |
| η | 0.0002191 | Pa×s | 609.85 | Joback Calculated Property |
| η | 0.0001562 | Pa×s | 660.10 | Joback Calculated Property |
| η | 0.0001169 | Pa×s | 710.34 | Joback Calculated Property |
| η | 0.0000908 | Pa×s | 760.59 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 810.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,5-dichlorophenyl pentyl ester.
Sources
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