- InChI
- InChI=1S/C28H45ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(30)25-18-20-26(21-19-25)28(31)33-23-24(2)29/h18-21,24H,3-17,22-23H2,1-2H3
- InChI Key
- HLPYNBDEQKURGT-UHFFFAOYSA-N
- Formula
- C28H45ClO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)c1ccc(C
(=O)OCC(C)Cl)cc1 - Molecular Weight1
- 481.11
- 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 | 1.3094 | Relay (1.0) Calculated Property | |
| ΔfG° | -194.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1055.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.499 | Crippen Calculated Property | |
| McVol | 408.740 | ml/mol | McGowan Calculated Property |
| Pc | 803.88 | kPa | Joback Calculated Property |
| Inp | 3503.00 | NIST | |
| Tboil | 706.54 | K | Relay (1.0) Calculated Property |
| Tc | 910.46 | K | Relay (1.0) Calculated Property |
| Tfus | 331.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.535 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1395.16; 1470.38] | J/mol×K | [1061.27; 1306.03] | 
|
| Cp,gas | 1395.16 | J/mol×K | 1061.27 | Joback Calculated Property |
| Cp,gas | 1412.04 | J/mol×K | 1102.06 | Joback Calculated Property |
| Cp,gas | 1427.07 | J/mol×K | 1142.86 | Joback Calculated Property |
| Cp,gas | 1440.34 | J/mol×K | 1183.65 | Joback Calculated Property |
| Cp,gas | 1451.92 | J/mol×K | 1224.44 | Joback Calculated Property |
| Cp,gas | 1461.91 | J/mol×K | 1265.23 | Joback Calculated Property |
| Cp,gas | 1470.38 | J/mol×K | 1306.03 | Joback Calculated Property |
| η | [0.0000126; 0.0002016] | Pa×s | [603.50; 1061.27] |
|
| η | 0.0002016 | Pa×s | 603.50 | Joback Calculated Property |
| η | 0.0000981 | Pa×s | 679.79 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 756.09 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 832.38 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 908.68 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 984.98 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 1061.27 | Joback Calculated Property |
Similar Compounds
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Sources
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