- InChI
- InChI=1S/C26H31Cl3O4/c1-2-3-4-5-6-7-8-9-12-15-32-25(30)20-13-10-11-14-21(20)26(31)33-18-22-23(28)16-19(27)17-24(22)29/h10-11,13-14,16-17H,2-9,12,15,18H2,1H3
- InChI Key
- GHRBOCJZOAWZTF-UHFFFAOYSA-N
- Formula
- C26H31Cl3O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCc1c(Cl)cc(Cl)cc1Cl - Molecular Weight1
- 513.88
- 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° | -149.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.14 | kJ/mol | Joback Calculated Property |
| log10WS | -10.31 | Crippen Calculated Property | |
| logPoct/wat | 8.691 | Crippen Calculated Property | |
| McVol | 381.280 | ml/mol | McGowan Calculated Property |
| Pc | 1020.08 | kPa | Joback Calculated Property |
| Inp | [3460.00; 3460.00] |
|
|
| Inp | 3460.00 | NIST | |
| Inp | 3460.00 | NIST | |
| Tboil | 1132.43 | K | Joback Calculated Property |
| Tc | 1386.83 | K | Joback Calculated Property |
| Tfus | 719.78 | K | Joback Calculated Property |
| Vc | 1.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1193.79; 1229.83] | J/mol×K | [1132.43; 1386.83] |
|
| Cp,gas | 1193.79 | J/mol×K | 1132.43 | Joback Calculated Property |
| Cp,gas | 1203.72 | J/mol×K | 1174.83 | Joback Calculated Property |
| Cp,gas | 1211.99 | J/mol×K | 1217.23 | Joback Calculated Property |
| Cp,gas | 1218.67 | J/mol×K | 1259.63 | Joback Calculated Property |
| Cp,gas | 1223.83 | J/mol×K | 1302.03 | Joback Calculated Property |
| Cp,gas | 1227.52 | J/mol×K | 1344.43 | Joback Calculated Property |
| Cp,gas | 1229.83 | J/mol×K | 1386.83 | Joback Calculated Property |
| η | [0.0000151; 0.0001069] | Pa×s | [719.78; 1132.43] |
|
| η | 0.0001069 | Pa×s | 719.78 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 788.55 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 857.33 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 926.11 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 994.88 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 1063.66 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 1132.43 | Joback Calculated Property |
Similar Compounds
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Sources
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