- InChI
- InChI=1S/C9H14Cl4O2/c10-6-4-2-1-3-5-7-15-8(14)9(11,12)13/h1-7H2
- InChI Key
- QKQBBAIFCVZRFD-UHFFFAOYSA-N
- Formula
- C9H14Cl4O2
- SMILES
- O=C(OCCCCCCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 296.02
- Other Names
-
- 1-Heptanol, 7-chloro, trichloroacetate
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -253.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.03 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 4.089 | Crippen Calculated Property | |
| McVol | 194.070 | ml/mol | McGowan Calculated Property |
| Pc | 2133.46 | kPa | Joback Calculated Property |
| Inp | [1714.00; 1745.00] |
|
|
| Inp | 1714.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1736.00 | NIST | |
| Inp | 1745.00 | NIST | |
| I | [2354.00; 2393.00] |
|
|
| I | 2354.00 | NIST | |
| I | 2375.00 | NIST | |
| I | 2393.00 | NIST | |
| Tboil | 628.10 | K | Joback Calculated Property |
| Tc | 830.88 | K | Joback Calculated Property |
| Tfus | 385.45 | K | Joback Calculated Property |
| Vc | 0.749 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.00; 492.88] | J/mol×K | [628.10; 830.88] |
|
| Cp,gas | 435.00 | J/mol×K | 628.10 | Joback Calculated Property |
| Cp,gas | 446.32 | J/mol×K | 661.90 | Joback Calculated Property |
| Cp,gas | 456.93 | J/mol×K | 695.69 | Joback Calculated Property |
| Cp,gas | 466.85 | J/mol×K | 729.49 | Joback Calculated Property |
| Cp,gas | 476.13 | J/mol×K | 763.29 | Joback Calculated Property |
| Cp,gas | 484.80 | J/mol×K | 797.08 | Joback Calculated Property |
| Cp,gas | 492.88 | J/mol×K | 830.88 | Joback Calculated Property |
| η | [0.0001690; 0.0019729] | Pa×s | [385.45; 628.10] |
|
| η | 0.0019729 | Pa×s | 385.45 | Joback Calculated Property |
| η | 0.0010784 | Pa×s | 425.89 | Joback Calculated Property |
| η | 0.0006545 | Pa×s | 466.33 | Joback Calculated Property |
| η | 0.0004302 | Pa×s | 506.77 | Joback Calculated Property |
| η | 0.0003009 | Pa×s | 547.22 | Joback Calculated Property |
| η | 0.0002211 | Pa×s | 587.66 | Joback Calculated Property |
| η | 0.0001690 | Pa×s | 628.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-chloroheptyl trichloroacetate.
Sources
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