- InChI
- InChI=1S/C28H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-17-18-23(29)20-26(22)30/h12-13,15-18,20H,2-11,14,19,21H2,1H3
- InChI Key
- PTXCKIVRSGPSGW-UHFFFAOYSA-N
- Formula
- C28H36Cl2O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=
O)OCc1ccc(Cl)cc1Cl - Molecular Weight1
- 507.49
- 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 | 1.2567 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -815.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.818 | Crippen Calculated Property | |
| McVol | 397.220 | ml/mol | McGowan Calculated Property |
| Pc | 934.63 | kPa | Joback Calculated Property |
| Inp | [3492.00; 3492.00] |
|
|
| Inp | 3492.00 | NIST | |
| Inp | 3492.00 | NIST | |
| Tboil | 730.72 | K | Relay (1.0) Calculated Property |
| Tc | 981.76 | K | Relay (1.0) Calculated Property |
| Tfus | 311.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.466 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1298.93; 1344.81] | J/mol×K | [1135.78; 1392.82] |
|
| Cp,gas | 1298.93 | J/mol×K | 1135.78 | Joback Calculated Property |
| Cp,gas | 1310.64 | J/mol×K | 1178.62 | Joback Calculated Property |
| Cp,gas | 1320.61 | J/mol×K | 1221.46 | Joback Calculated Property |
| Cp,gas | 1328.92 | J/mol×K | 1264.30 | Joback Calculated Property |
| Cp,gas | 1335.66 | J/mol×K | 1307.14 | Joback Calculated Property |
| Cp,gas | 1340.93 | J/mol×K | 1349.98 | Joback Calculated Property |
| Cp,gas | 1344.81 | J/mol×K | 1392.82 | Joback Calculated Property |
| η | [0.0000128; 0.0001112] | Pa×s | [699.88; 1135.78] |
|
| η | 0.0001112 | Pa×s | 699.88 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 772.53 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 845.18 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 917.83 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 990.48 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 1063.13 | Joback Calculated Property |
| η | 0.0000128 | Pa×s | 1135.78 | Joback Calculated Property |
Similar Compounds
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Sources
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