- InChI
- InChI=1S/C7H10Cl4O2/c8-4-2-1-3-5-13-6(12)7(9,10)11/h1-5H2
- InChI Key
- RNDGFCISXTXPID-UHFFFAOYSA-N
- Formula
- C7H10Cl4O2
- SMILES
- O=C(OCCCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 267.96
- Other Names
-
- 1-Pentanol, 5-chloro, trichloroacetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- I : 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 |
|---|---|---|---|
| ω | 0.5155 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.309 | Crippen Calculated Property | |
| McVol | 165.890 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [1474.00; 1530.00] |
|
|
| Inp | 1474.00 | NIST | |
| Inp | 1513.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1530.00 | NIST | |
| I | [2155.00; 2205.00] |
|
|
| I | 2155.00 | NIST | |
| I | 2170.00 | NIST | |
| I | 2188.00 | NIST | |
| I | 2205.00 | NIST | |
| Tboil | 520.71 | K | Relay (1.0) Calculated Property |
| Tc | 736.56 | K | Relay (1.0) Calculated Property |
| Tfus | 263.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.86; 391.17] | J/mol×K | [582.34; 791.37] |
|
| Cp,gas | 341.86 | J/mol×K | 582.34 | Joback Calculated Property |
| Cp,gas | 351.59 | J/mol×K | 617.18 | Joback Calculated Property |
| Cp,gas | 360.68 | J/mol×K | 652.02 | Joback Calculated Property |
| Cp,gas | 369.15 | J/mol×K | 686.85 | Joback Calculated Property |
| Cp,gas | 377.04 | J/mol×K | 721.69 | Joback Calculated Property |
| Cp,gas | 384.37 | J/mol×K | 756.53 | Joback Calculated Property |
| Cp,gas | 391.17 | J/mol×K | 791.37 | Joback Calculated Property |
| η | [0.0002240; 0.0023494] | Pa×s | [362.91; 582.34] |
|
| η | 0.0023494 | Pa×s | 362.91 | Joback Calculated Property |
| η | 0.0013273 | Pa×s | 399.48 | Joback Calculated Property |
| η | 0.0008252 | Pa×s | 436.05 | Joback Calculated Property |
| η | 0.0005522 | Pa×s | 472.62 | Joback Calculated Property |
| η | 0.0003915 | Pa×s | 509.20 | Joback Calculated Property |
| η | 0.0002906 | Pa×s | 545.77 | Joback Calculated Property |
| η | 0.0002240 | Pa×s | 582.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-chloropentyl trichloroacetate.
Sources
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