- InChI
- InChI=1S/C10H18Cl2O2/c1-2-3-4-5-9(12)6-7-14-10(13)8-11/h9H,2-8H2,1H3
- InChI Key
- WNSBAEYXMYMOSK-UHFFFAOYSA-N
- Formula
- C10H18Cl2O2
- SMILES
- CCCCCC(Cl)CCOC(=O)CCl
- Molecular Weight1
- 241.16
- Other Names
-
- 1-Octanol, 3-chloro, chloroacetate
- 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° | -226.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 3.346 | Crippen Calculated Property | |
| McVol | 183.680 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [1551.00; 1559.00] |
|
|
| Inp | 1554.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1559.00 | NIST | |
| Inp | 1551.00 | NIST | |
| I | [2221.00; 2239.00] |
|
|
| I | 2221.00 | NIST | |
| I | 2231.00 | NIST | |
| I | 2239.00 | NIST | |
| I | 2221.00 | NIST | |
| Tboil | 578.91 | K | Joback Calculated Property |
| Tc | 764.42 | K | Joback Calculated Property |
| Tfus | 319.46 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.73; 498.63] | J/mol×K | [578.91; 764.42] |
|
| Cp,gas | 427.73 | J/mol×K | 578.91 | Joback Calculated Property |
| Cp,gas | 441.05 | J/mol×K | 609.83 | Joback Calculated Property |
| Cp,gas | 453.75 | J/mol×K | 640.75 | Joback Calculated Property |
| Cp,gas | 465.85 | J/mol×K | 671.67 | Joback Calculated Property |
| Cp,gas | 477.36 | J/mol×K | 702.58 | Joback Calculated Property |
| Cp,gas | 488.28 | J/mol×K | 733.50 | Joback Calculated Property |
| Cp,gas | 498.63 | J/mol×K | 764.42 | Joback Calculated Property |
| η | [0.0001937; 0.0032066] | Pa×s | [319.46; 578.91] |
|
| η | 0.0032066 | Pa×s | 319.46 | Joback Calculated Property |
| η | 0.0015197 | Pa×s | 362.70 | Joback Calculated Property |
| η | 0.0008444 | Pa×s | 405.94 | Joback Calculated Property |
| η | 0.0005254 | Pa×s | 449.19 | Joback Calculated Property |
| η | 0.0003553 | Pa×s | 492.43 | Joback Calculated Property |
| η | 0.0002560 | Pa×s | 535.67 | Joback Calculated Property |
| η | 0.0001937 | Pa×s | 578.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-chlorooctyl chloroacetate.
Sources
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