- InChI
- InChI=1S/C9H15Cl3O2/c1-2-3-4-7(10)5-6-14-9(13)8(11)12/h7-8H,2-6H2,1H3
- InChI Key
- XNURRQZRWQLOON-UHFFFAOYSA-N
- Formula
- C9H15Cl3O2
- SMILES
- CCCCC(Cl)CCOC(=O)C(Cl)Cl
- Molecular Weight1
- 261.57
- Other Names
-
- 1-Heptanol, 3-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° | -249.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.63 | Crippen Calculated Property | |
| logPoct/wat | 3.521 | Crippen Calculated Property | |
| McVol | 181.830 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Inp | [1527.00; 1548.00] |
|
|
| Inp | 1527.00 | NIST | |
| Inp | 1537.00 | NIST | |
| Inp | 1541.00 | NIST | |
| Inp | 1548.00 | NIST | |
| I | [2175.00; 2196.00] |
|
|
| I | 2175.00 | NIST | |
| I | 2188.00 | NIST | |
| I | 2196.00 | NIST | |
| Tboil | 593.02 | K | Joback Calculated Property |
| Tc | 788.71 | K | Joback Calculated Property |
| Tfus | 323.11 | K | Joback Calculated Property |
| Vc | 0.699 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [407.32; 471.06] | J/mol×K | [593.02; 788.71] |
|
| Cp,gas | 407.32 | J/mol×K | 593.02 | Joback Calculated Property |
| Cp,gas | 419.47 | J/mol×K | 625.64 | Joback Calculated Property |
| Cp,gas | 431.00 | J/mol×K | 658.25 | Joback Calculated Property |
| Cp,gas | 441.90 | J/mol×K | 690.87 | Joback Calculated Property |
| Cp,gas | 452.21 | J/mol×K | 723.48 | Joback Calculated Property |
| Cp,gas | 461.92 | J/mol×K | 756.10 | Joback Calculated Property |
| Cp,gas | 471.06 | J/mol×K | 788.71 | Joback Calculated Property |
| η | [0.0001868; 0.0036788] | Pa×s | [323.11; 593.02] |
|
| η | 0.0036788 | Pa×s | 323.11 | Joback Calculated Property |
| η | 0.0016526 | Pa×s | 368.10 | Joback Calculated Property |
| η | 0.0008837 | Pa×s | 413.08 | Joback Calculated Property |
| η | 0.0005344 | Pa×s | 458.06 | Joback Calculated Property |
| η | 0.0003536 | Pa×s | 503.05 | Joback Calculated Property |
| η | 0.0002504 | Pa×s | 548.03 | Joback Calculated Property |
| η | 0.0001868 | Pa×s | 593.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-chloroheptyl dichloroacetate.
Sources
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