- InChI
- InChI=1S/C10H17Cl3O2/c1-2-3-4-5-8(11)6-7-15-10(14)9(12)13/h8-9H,2-7H2,1H3
- InChI Key
- VLFLWPGLPMXFEF-UHFFFAOYSA-N
- Formula
- C10H17Cl3O2
- SMILES
- CCCCCC(Cl)CCOC(=O)C(Cl)Cl
- Molecular Weight1
- 275.60
- Other Names
-
- 1-Octanol, 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° | -241.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -552.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.911 | Crippen Calculated Property | |
| McVol | 195.920 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | [1623.00; 1645.00] |
|
|
| Inp | 1623.00 | NIST | |
| Inp | 1629.00 | NIST | |
| Inp | 1637.00 | NIST | |
| Inp | 1645.00 | NIST | |
| I | [2266.00; 2291.00] |
|
|
| I | 2266.00 | NIST | |
| I | 2281.00 | NIST | |
| I | 2291.00 | NIST | |
| I | 2266.00 | NIST | |
| Tboil | 615.90 | K | Joback Calculated Property |
| Tc | 809.16 | K | Joback Calculated Property |
| Tfus | 334.38 | K | Joback Calculated Property |
| Vc | 0.754 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.66; 523.15] | J/mol×K | [615.90; 809.16] |
|
| Cp,gas | 455.66 | J/mol×K | 615.90 | Joback Calculated Property |
| Cp,gas | 468.53 | J/mol×K | 648.11 | Joback Calculated Property |
| Cp,gas | 480.73 | J/mol×K | 680.32 | Joback Calculated Property |
| Cp,gas | 492.28 | J/mol×K | 712.53 | Joback Calculated Property |
| Cp,gas | 503.19 | J/mol×K | 744.74 | Joback Calculated Property |
| Cp,gas | 513.48 | J/mol×K | 776.95 | Joback Calculated Property |
| Cp,gas | 523.15 | J/mol×K | 809.16 | Joback Calculated Property |
| η | [0.0001646; 0.0033761] | Pa×s | [334.38; 615.90] |
|
| η | 0.0033761 | Pa×s | 334.38 | Joback Calculated Property |
| η | 0.0014970 | Pa×s | 381.30 | Joback Calculated Property |
| η | 0.0007933 | Pa×s | 428.22 | Joback Calculated Property |
| η | 0.0004765 | Pa×s | 475.14 | Joback Calculated Property |
| η | 0.0003137 | Pa×s | 522.06 | Joback Calculated Property |
| η | 0.0002213 | Pa×s | 568.98 | Joback Calculated Property |
| η | 0.0001646 | Pa×s | 615.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-chlorooctyl dichloroacetate.
Sources
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