- InChI
- InChI=1S/C16H20Cl2O4/c1-2-21-15(19)6-4-3-5-7-16(20)22-11-12-8-13(17)10-14(18)9-12/h8-10H,2-7,11H2,1H3
- InChI Key
- BVTKMPSULPSIOC-UHFFFAOYSA-N
- Formula
- C16H20Cl2O4
- SMILES
-
CCOC(=O)CCCCCC(=O)OCc1cc(Cl)cc
(Cl)c1 - Molecular Weight1
- 347.23
- 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 | 0.8609 | Relay (1.0) Calculated Property | |
| ΔfG° | -314.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -803.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.550 | Crippen Calculated Property | |
| McVol | 251.900 | ml/mol | McGowan Calculated Property |
| Pc | 1686.56 | kPa | Joback Calculated Property |
| Inp | [2394.00; 2394.00] |
|
|
| Inp | 2394.00 | NIST | |
| Inp | 2394.00 | NIST | |
| Tboil | 618.41 | K | Relay (1.0) Calculated Property |
| Tc | 832.38 | K | Relay (1.0) Calculated Property |
| Tfus | 298.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.928 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [698.88; 760.81] | J/mol×K | [829.56; 1039.86] |
|
| Cp,gas | 698.88 | J/mol×K | 829.56 | Joback Calculated Property |
| Cp,gas | 711.67 | J/mol×K | 864.61 | Joback Calculated Property |
| Cp,gas | 723.45 | J/mol×K | 899.66 | Joback Calculated Property |
| Cp,gas | 734.25 | J/mol×K | 934.71 | Joback Calculated Property |
| Cp,gas | 744.06 | J/mol×K | 969.76 | Joback Calculated Property |
| Cp,gas | 752.91 | J/mol×K | 1004.81 | Joback Calculated Property |
| Cp,gas | 760.81 | J/mol×K | 1039.86 | Joback Calculated Property |
| η | [0.0000729; 0.0005229] | Pa×s | [525.70; 829.56] |
|
| η | 0.0005229 | Pa×s | 525.70 | Joback Calculated Property |
| η | 0.0003260 | Pa×s | 576.34 | Joback Calculated Property |
| η | 0.0002193 | Pa×s | 626.99 | Joback Calculated Property |
| η | 0.0001566 | Pa×s | 677.63 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 728.27 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 778.92 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 829.56 | Joback Calculated Property |
Similar Compounds
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Sources
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