- InChI
- InChI=1S/C9H15Cl3O2/c10-6-4-2-1-3-5-7-14-9(13)8(11)12/h8H,1-7H2
- InChI Key
- LUGGQXMJRCRYAK-UHFFFAOYSA-N
- Formula
- C9H15Cl3O2
- SMILES
- O=C(OCCCCCCCCl)C(Cl)Cl
- Molecular Weight1
- 261.57
- Other Names
-
- 1-Heptanol, 7-chloro, dichloroacetate
- 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° | -247.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.52 | Crippen Calculated Property | |
| logPoct/wat | 3.523 | Crippen Calculated Property | |
| McVol | 181.830 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Inp | [1636.00; 1661.00] |
|
|
| Inp | 1636.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Inp | 1654.00 | NIST | |
| Inp | 1661.00 | NIST | |
| I | [2377.00; 2409.00] |
|
|
| I | 2377.00 | NIST | |
| I | 2395.00 | NIST | |
| I | 2409.00 | NIST | |
| Tboil | 593.46 | K | Joback Calculated Property |
| Tc | 785.47 | K | Joback Calculated Property |
| Tfus | 338.11 | K | Joback Calculated Property |
| Vc | 0.705 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.89; 469.43] | J/mol×K | [593.46; 785.47] |
|
| Cp,gas | 406.89 | J/mol×K | 593.46 | Joback Calculated Property |
| Cp,gas | 418.76 | J/mol×K | 625.46 | Joback Calculated Property |
| Cp,gas | 430.04 | J/mol×K | 657.46 | Joback Calculated Property |
| Cp,gas | 440.73 | J/mol×K | 689.46 | Joback Calculated Property |
| Cp,gas | 450.85 | J/mol×K | 721.47 | Joback Calculated Property |
| Cp,gas | 460.41 | J/mol×K | 753.47 | Joback Calculated Property |
| Cp,gas | 469.43 | J/mol×K | 785.47 | Joback Calculated Property |
| η | [0.0001999; 0.0028129] | Pa×s | [338.11; 593.46] |
|
| η | 0.0028129 | Pa×s | 338.11 | Joback Calculated Property |
| η | 0.0014150 | Pa×s | 380.67 | Joback Calculated Property |
| η | 0.0008173 | Pa×s | 423.23 | Joback Calculated Property |
| η | 0.0005219 | Pa×s | 465.79 | Joback Calculated Property |
| η | 0.0003592 | Pa×s | 508.34 | Joback Calculated Property |
| η | 0.0002619 | Pa×s | 550.90 | Joback Calculated Property |
| η | 0.0001999 | Pa×s | 593.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-chloroheptyl dichloroacetate.
Sources
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