- InChI
- InChI=1S/C9H16Cl2O2/c1-2-3-4-5-8(11)6-9(12)13-7-10/h8H,2-7H2,1H3
- InChI Key
- QVLVXAKSGCMENB-UHFFFAOYSA-N
- Formula
- C9H16Cl2O2
- SMILES
- CCCCCC(Cl)CC(=O)OCCl
- Molecular Weight1
- 227.13
- CAS
- 80418-65-1
- Other Names
-
- 3-Chlorooctanoic acid, chloromethyl ester
- 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° | -235.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 3.304 | Crippen Calculated Property | |
| McVol | 169.590 | ml/mol | McGowan Calculated Property |
| Pc | 2263.26 | kPa | Joback Calculated Property |
| Inp | [1414.00; 1434.00] |
|
|
| Inp | 1425.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Inp | 1434.00 | NIST | |
| I | [1969.00; 1988.00] |
|
|
| I | 1969.00 | NIST | |
| I | 1984.00 | NIST | |
| I | 1988.00 | NIST | |
| Tboil | 556.03 | K | Joback Calculated Property |
| Tc | 743.61 | K | Joback Calculated Property |
| Tfus | 308.19 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.33; 447.18] | J/mol×K | [556.03; 743.61] |
|
| Cp,gas | 380.33 | J/mol×K | 556.03 | Joback Calculated Property |
| Cp,gas | 392.87 | J/mol×K | 587.29 | Joback Calculated Property |
| Cp,gas | 404.84 | J/mol×K | 618.56 | Joback Calculated Property |
| Cp,gas | 416.25 | J/mol×K | 649.82 | Joback Calculated Property |
| Cp,gas | 427.10 | J/mol×K | 681.08 | Joback Calculated Property |
| Cp,gas | 437.41 | J/mol×K | 712.35 | Joback Calculated Property |
| Cp,gas | 447.18 | J/mol×K | 743.61 | Joback Calculated Property |
| η | [0.0002166; 0.0034137] | Pa×s | [308.19; 556.03] |
|
| η | 0.0034137 | Pa×s | 308.19 | Joback Calculated Property |
| η | 0.0016431 | Pa×s | 349.50 | Joback Calculated Property |
| η | 0.0009231 | Pa×s | 390.80 | Joback Calculated Property |
| η | 0.0005790 | Pa×s | 432.11 | Joback Calculated Property |
| η | 0.0003940 | Pa×s | 473.42 | Joback Calculated Property |
| η | 0.0002852 | Pa×s | 514.72 | Joback Calculated Property |
| η | 0.0002166 | Pa×s | 556.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 3-chloro-octanoate.
Sources
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