- InChI
- InChI=1S/C26H41ClO4/c1-4-7-8-9-10-11-12-13-14-15-20-30-24(28)26(5-2,6-3)25(29)31-21-22-16-18-23(27)19-17-22/h16-19H,4-15,20-21H2,1-3H3
- InChI Key
- IVVMUBQURSKRIC-UHFFFAOYSA-N
- Formula
- C26H41ClO4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)OCc1ccc(Cl)cc1 - Molecular Weight1
- 453.05
- 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 | 1.0938 | Relay (1.0) Calculated Property | |
| ΔfG° | -206.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -960.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.654 | Crippen Calculated Property | |
| McVol | 380.560 | ml/mol | McGowan Calculated Property |
| Pc | 905.06 | kPa | Joback Calculated Property |
| Inp | [2981.00; 2981.00] |
|
|
| Inp | 2981.00 | NIST | |
| Inp | 2981.00 | NIST | |
| Tboil | 679.59 | K | Relay (1.0) Calculated Property |
| Tc | 890.32 | K | Relay (1.0) Calculated Property |
| Tfus | 301.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.384 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1269.75; 1348.78] | J/mol×K | [1012.72; 1240.09] |
|
| Cp,gas | 1269.75 | J/mol×K | 1012.72 | Joback Calculated Property |
| Cp,gas | 1286.19 | J/mol×K | 1050.62 | Joback Calculated Property |
| Cp,gas | 1301.21 | J/mol×K | 1088.51 | Joback Calculated Property |
| Cp,gas | 1314.90 | J/mol×K | 1126.41 | Joback Calculated Property |
| Cp,gas | 1327.34 | J/mol×K | 1164.30 | Joback Calculated Property |
| Cp,gas | 1338.60 | J/mol×K | 1202.20 | Joback Calculated Property |
| Cp,gas | 1348.78 | J/mol×K | 1240.09 | Joback Calculated Property |
| η | [0.0000144; 0.0002050] | Pa×s | [598.38; 1012.72] |
|
| η | 0.0002050 | Pa×s | 598.38 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 667.44 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 736.49 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 805.55 | Joback Calculated Property |
| η | 0.0000263 | Pa×s | 874.61 | Joback Calculated Property |
| η | 0.0000190 | Pa×s | 943.66 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 1012.72 | Joback Calculated Property |
Similar Compounds
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Sources
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