- InChI
- InChI=1S/C28H45ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-32-26(30)28(5-2,6-3)27(31)33-23-24-19-18-20-25(29)22-24/h18-20,22H,4-17,21,23H2,1-3H3
- InChI Key
- PTBINLNVBMQKLV-UHFFFAOYSA-N
- Formula
- C28H45ClO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C
(=O)OCc1cccc(Cl)c1 - Molecular Weight1
- 481.11
- 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° | -189.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -910.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.26 | kJ/mol | Joback Calculated Property |
| log10WS | -9.31 | Crippen Calculated Property | |
| logPoct/wat | 8.434 | Crippen Calculated Property | |
| McVol | 408.740 | ml/mol | McGowan Calculated Property |
| Pc | 808.91 | kPa | Joback Calculated Property |
| Inp | [3159.00; 3159.00] |
|
|
| Inp | 3159.00 | NIST | |
| Inp | 3159.00 | NIST | |
| Tboil | 1058.48 | K | Joback Calculated Property |
| Tc | 1299.92 | K | Joback Calculated Property |
| Tfus | 620.92 | K | Joback Calculated Property |
| Vc | 1.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1395.04; 1476.43] | J/mol×K | [1058.48; 1299.92] |
|
| Cp,gas | 1395.04 | J/mol×K | 1058.48 | Joback Calculated Property |
| Cp,gas | 1412.19 | J/mol×K | 1098.72 | Joback Calculated Property |
| Cp,gas | 1427.77 | J/mol×K | 1138.96 | Joback Calculated Property |
| Cp,gas | 1441.87 | J/mol×K | 1179.20 | Joback Calculated Property |
| Cp,gas | 1454.61 | J/mol×K | 1219.44 | Joback Calculated Property |
| Cp,gas | 1466.09 | J/mol×K | 1259.68 | Joback Calculated Property |
| Cp,gas | 1476.43 | J/mol×K | 1299.92 | Joback Calculated Property |
| η | [0.0000104; 0.0001564] | Pa×s | [620.92; 1058.48] |
|
| η | 0.0001564 | Pa×s | 620.92 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 693.85 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 766.77 | Joback Calculated Property |
| η | 0.0000283 | Pa×s | 839.70 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 912.63 | Joback Calculated Property |
| η | 0.0000138 | Pa×s | 985.55 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 1058.48 | Joback Calculated Property |
Similar Compounds
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Sources
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