- InChI
- InChI=1S/C10H16Cl4O2/c11-7-5-3-1-2-4-6-8-16-9(15)10(12,13)14/h1-8H2
- InChI Key
- QQGWBYRTWYPUTG-UHFFFAOYSA-N
- Formula
- C10H16Cl4O2
- SMILES
- O=C(OCCCCCCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 310.05
- Other Names
-
- 1-Octanol, 8-chloro, trichloroacetate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -594.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.03 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.479 | Crippen Calculated Property | |
| McVol | 208.160 | ml/mol | McGowan Calculated Property |
| Inp | [1812.00; 1845.00] |
|
|
| Inp | 1812.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1838.00 | NIST | |
| Inp | 1845.00 | NIST | |
| Inp | 1812.00 | NIST | |
| Ip | [2446.00; 2491.00] |
|
|
| Ip | 2446.00 | NIST | |
| Ip | 2472.00 | NIST | |
| Ip | 2491.00 | NIST | |
| Tboil | 552.20 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.12; 577.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.62980e+01 | |||
| Coefficient B | 1.05200e+00 | |||
| Coefficient C | -6.79000e-04 | |||
| Coefficient D | 1.58600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 286.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 340.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 388.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 429.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 465.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 496.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 522.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 544.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 562.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 577.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025439; 0.0001919] | Pa×s | [366.89; 581.74] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.29723e+01 | |||
| Coefficient B | 2.56758e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 366.89 | |||
| Temperature range, max. | 581.74 | |||
| η | 0.0025439 | Pa×s | 366.89 | Calculated Property |
| η | 0.0016589 | Pa×s | 390.76 | Calculated Property |
| η | 0.0011364 | Pa×s | 414.63 | Calculated Property |
| η | 0.0008112 | Pa×s | 438.51 | Calculated Property |
| η | 0.0005996 | Pa×s | 462.38 | Calculated Property |
| η | 0.0004565 | Pa×s | 486.25 | Calculated Property |
| η | 0.0003566 | Pa×s | 510.12 | Calculated Property |
| η | 0.0002847 | Pa×s | 533.99 | Calculated Property |
| η | 0.0002318 | Pa×s | 557.87 | Calculated Property |
| η | 0.0001919 | Pa×s | 581.74 | Calculated Property |
Similar Compounds
Find more compounds similar to 8-chlorooctyl trichloroacetate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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