- InChI
- InChI=1S/C28H41ClO4/c1-3-4-5-6-7-8-9-10-11-12-15-20-32-27(30)24-16-13-14-17-25(24)28(31)33-23-18-19-26(29)22(2)21-23/h13-14,18-19,21,24-25H,3-12,15-17,20H2,1-2H3
- InChI Key
- SKNFMLFECCEQPN-UHFFFAOYSA-N
- Formula
- C28H41ClO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C1CC=CCC1C(
=O)Oc1ccc(Cl)c(C)c1 - Molecular Weight1
- 477.08
- 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° | -155.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.63 | kJ/mol | Joback Calculated Property |
| log10WS | -9.03 | Crippen Calculated Property | |
| logPoct/wat | 7.990 | Crippen Calculated Property | |
| McVol | 393.580 | ml/mol | McGowan Calculated Property |
| Pc | 895.34 | kPa | Joback Calculated Property |
| Inp | [3422.00; 3422.00] |
|
|
| Inp | 3422.00 | NIST | |
| Inp | 3422.00 | NIST | |
| Tboil | 1080.73 | K | Joback Calculated Property |
| Tc | 1323.82 | K | Joback Calculated Property |
| Tfus | 634.92 | K | Joback Calculated Property |
| Vc | 1.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1357.68; 1414.07] | J/mol×K | [1080.73; 1323.82] |
|
| Cp,gas | 1357.68 | J/mol×K | 1080.73 | Joback Calculated Property |
| Cp,gas | 1371.92 | J/mol×K | 1121.25 | Joback Calculated Property |
| Cp,gas | 1384.14 | J/mol×K | 1161.76 | Joback Calculated Property |
| Cp,gas | 1394.39 | J/mol×K | 1202.28 | Joback Calculated Property |
| Cp,gas | 1402.76 | J/mol×K | 1242.79 | Joback Calculated Property |
| Cp,gas | 1409.29 | J/mol×K | 1283.31 | Joback Calculated Property |
| Cp,gas | 1414.07 | J/mol×K | 1323.82 | Joback Calculated Property |
| η | [0.0000222; 0.0002255] | Pa×s | [634.92; 1080.73] |
|
| η | 0.0002255 | Pa×s | 634.92 | Joback Calculated Property |
| η | 0.0001252 | Pa×s | 709.22 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 783.52 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 857.83 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 932.13 | Joback Calculated Property |
| η | 0.0000284 | Pa×s | 1006.43 | Joback Calculated Property |
| η | 0.0000222 | Pa×s | 1080.73 | Joback Calculated Property |
Similar Compounds
Sources
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