- InChI
- InChI=1S/C9H14Cl4O2/c1-2-3-4-5-7(10)6-15-8(14)9(11,12)13/h7H,2-6H2,1H3
- InChI Key
- CYEPFKDESAVFCD-UHFFFAOYSA-N
- Formula
- C9H14Cl4O2
- SMILES
- CCCCCC(Cl)COC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 296.02
- Other Names
-
- 1-Heptanol, 2-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 | 0.5273 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.088 | Crippen Calculated Property | |
| McVol | 194.070 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| Inp | [1575.00; 1600.00] |
|
|
| Inp | 1575.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1592.00 | NIST | |
| Inp | 1600.00 | NIST | |
| I | [2085.00; 2108.00] |
|
|
| I | 2085.00 | NIST | |
| I | 2095.00 | NIST | |
| I | 2108.00 | NIST | |
| I | 2085.00 | NIST | |
| Tboil | 539.62 | K | Relay (1.0) Calculated Property |
| Tc | 738.10 | K | Relay (1.0) Calculated Property |
| Tfus | 277.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.50; 494.41] | J/mol×K | [627.66; 834.33] |
|
| Cp,gas | 435.50 | J/mol×K | 627.66 | Joback Calculated Property |
| Cp,gas | 447.08 | J/mol×K | 662.11 | Joback Calculated Property |
| Cp,gas | 457.91 | J/mol×K | 696.55 | Joback Calculated Property |
| Cp,gas | 468.02 | J/mol×K | 731.00 | Joback Calculated Property |
| Cp,gas | 477.45 | J/mol×K | 765.44 | Joback Calculated Property |
| Cp,gas | 486.24 | J/mol×K | 799.89 | Joback Calculated Property |
| Cp,gas | 494.41 | J/mol×K | 834.33 | Joback Calculated Property |
| η | [0.0001574; 0.0024724] | Pa×s | [370.45; 627.66] |
|
| η | 0.0024724 | Pa×s | 370.45 | Joback Calculated Property |
| η | 0.0012314 | Pa×s | 413.32 | Joback Calculated Property |
| η | 0.0006991 | Pa×s | 456.19 | Joback Calculated Property |
| η | 0.0004375 | Pa×s | 499.05 | Joback Calculated Property |
| η | 0.0002948 | Pa×s | 541.92 | Joback Calculated Property |
| η | 0.0002105 | Pa×s | 584.79 | Joback Calculated Property |
| η | 0.0001574 | Pa×s | 627.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloroheptyl trichloroacetate.
Sources
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