- InChI
- InChI=1S/C29H47ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-33-27(31)29(5-2,6-3)28(32)34-24-25-20-19-21-26(30)23-25/h19-21,23H,4-18,22,24H2,1-3H3
- InChI Key
- OSOGZWNSTJXONA-UHFFFAOYSA-N
- Formula
- C29H47ClO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)
C(=O)OCc1cccc(Cl)c1 - Molecular Weight1
- 495.13
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -180.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -930.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.49 | kJ/mol | Joback Calculated Property |
| log10WS | -9.73 | Crippen Calculated Property | |
| logPoct/wat | 8.824 | Crippen Calculated Property | |
| McVol | 422.830 | ml/mol | McGowan Calculated Property |
| Pc | 766.49 | kPa | Joback Calculated Property |
| Inp | [3262.00; 3262.00] |
|
|
| Inp | 3262.00 | NIST | |
| Inp | 3262.00 | NIST | |
| Tboil | 1081.36 | K | Joback Calculated Property |
| Tc | 1331.72 | K | Joback Calculated Property |
| Tfus | 632.19 | K | Joback Calculated Property |
| Vc | 1.637 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1458.25; 1541.09] | J/mol×K | [1081.36; 1331.72] |
|
| Cp,gas | 1458.25 | J/mol×K | 1081.36 | Joback Calculated Property |
| Cp,gas | 1475.83 | J/mol×K | 1123.09 | Joback Calculated Property |
| Cp,gas | 1491.73 | J/mol×K | 1164.81 | Joback Calculated Property |
| Cp,gas | 1506.09 | J/mol×K | 1206.54 | Joback Calculated Property |
| Cp,gas | 1519.01 | J/mol×K | 1248.27 | Joback Calculated Property |
| Cp,gas | 1530.64 | J/mol×K | 1289.99 | Joback Calculated Property |
| Cp,gas | 1541.09 | J/mol×K | 1331.72 | Joback Calculated Property |
| η | [0.0000088; 0.0001362] | Pa×s | [632.19; 1081.36] |
|
| η | 0.0001362 | Pa×s | 632.19 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 707.05 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 781.91 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 856.77 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 931.64 | Joback Calculated Property |
| η | 0.0000117 | Pa×s | 1006.50 | Joback Calculated Property |
| η | 0.0000088 | Pa×s | 1081.36 | Joback Calculated Property |
Similar Compounds
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Sources
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