- InChI
- InChI=1S/C22H34Cl2O4/c23-19-11-5-1-7-15(19)13-27-21(25)17-9-3-4-10-18(17)22(26)28-14-16-8-2-6-12-20(16)24/h15-20H,1-14H2
- InChI Key
- BRNANSGAGKELCH-UHFFFAOYSA-N
- Formula
- C22H34Cl2O4
- SMILES
-
O=C(OCC1CCCCC1Cl)C1CCCCC1C(=O)
OCC1CCCCC1Cl - Molecular Weight1
- 433.41
- 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 | 0.7337 | Relay (1.0) Calculated Property | |
| ΔfG° | -307.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1097.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.474 | Crippen Calculated Property | |
| McVol | 327.620 | ml/mol | McGowan Calculated Property |
| Pc | 1279.16 | kPa | Joback Calculated Property |
| Inp | 3183.00 | NIST | |
| Tboil | 711.94 | K | Relay (1.0) Calculated Property |
| Tc | 971.67 | K | Relay (1.0) Calculated Property |
| Tfus | 390.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.171 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1150.44; 1213.14] | J/mol×K | [974.84; 1215.22] | 
|
| Cp,gas | 1150.44 | J/mol×K | 974.84 | Joback Calculated Property |
| Cp,gas | 1166.97 | J/mol×K | 1014.90 | Joback Calculated Property |
| Cp,gas | 1181.03 | J/mol×K | 1054.97 | Joback Calculated Property |
| Cp,gas | 1192.64 | J/mol×K | 1095.03 | Joback Calculated Property |
| Cp,gas | 1201.84 | J/mol×K | 1135.10 | Joback Calculated Property |
| Cp,gas | 1208.66 | J/mol×K | 1175.16 | Joback Calculated Property |
| Cp,gas | 1213.14 | J/mol×K | 1215.22 | Joback Calculated Property |
| η | [0.0000728; 0.0008321] | Pa×s | [551.28; 974.84] |
|
| η | 0.0008321 | Pa×s | 551.28 | Joback Calculated Property |
| η | 0.0004403 | Pa×s | 621.87 | Joback Calculated Property |
| η | 0.0002653 | Pa×s | 692.47 | Joback Calculated Property |
| η | 0.0001755 | Pa×s | 763.06 | Joback Calculated Property |
| η | 0.0001246 | Pa×s | 833.65 | Joback Calculated Property |
| η | 0.0000933 | Pa×s | 904.25 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 974.84 | Joback Calculated Property |
Similar Compounds
Sources
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