- InChI
- InChI=1S/C9H16Cl2O2/c10-7-5-3-1-2-4-6-9(12)13-8-11/h1-8H2
- InChI Key
- YEDAJMGEJCGDOV-UHFFFAOYSA-N
- Formula
- C9H16Cl2O2
- SMILES
- O=C(CCCCCCCCl)OCCl
- Molecular Weight1
- 227.13
- CAS
- 80418-70-8
- Other Names
-
- 8-Chlorooctanoic acid, chloromethyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6743 | Relay (1.0) Calculated Property | |
| ΔfG° | -232.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.305 | Crippen Calculated Property | |
| McVol | 169.590 | ml/mol | McGowan Calculated Property |
| Pc | 2246.13 | kPa | Joback Calculated Property |
| Inp | [1545.00; 1555.00] |
|
|
| Inp | 1545.00 | NIST | |
| Inp | 1545.00 | NIST | |
| Inp | 1555.00 | NIST | |
| I | [2167.00; 2206.00] |
|
|
| I | 2167.00 | NIST | |
| I | 2191.00 | NIST | |
| I | 2206.00 | NIST | |
| Tboil | 533.70 | K | Relay (1.0) Calculated Property |
| Tc | 731.14 | K | Relay (1.0) Calculated Property |
| Tfus | 270.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.98; 445.47] | J/mol×K | [556.47; 740.45] |
|
| Cp,gas | 379.98 | J/mol×K | 556.47 | Joback Calculated Property |
| Cp,gas | 392.22 | J/mol×K | 587.13 | Joback Calculated Property |
| Cp,gas | 403.92 | J/mol×K | 617.80 | Joback Calculated Property |
| Cp,gas | 415.09 | J/mol×K | 648.46 | Joback Calculated Property |
| Cp,gas | 425.73 | J/mol×K | 679.13 | Joback Calculated Property |
| Cp,gas | 435.85 | J/mol×K | 709.79 | Joback Calculated Property |
| Cp,gas | 445.47 | J/mol×K | 740.45 | Joback Calculated Property |
| η | [0.0002308; 0.0026055] | Pa×s | [323.19; 556.47] |
|
| η | 0.0026055 | Pa×s | 323.19 | Joback Calculated Property |
| η | 0.0014003 | Pa×s | 362.07 | Joback Calculated Property |
| η | 0.0008489 | Pa×s | 400.95 | Joback Calculated Property |
| η | 0.0005623 | Pa×s | 439.83 | Joback Calculated Property |
| η | 0.0003982 | Pa×s | 478.71 | Joback Calculated Property |
| η | 0.0002970 | Pa×s | 517.59 | Joback Calculated Property |
| η | 0.0002308 | Pa×s | 556.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 8-chloro-octanoate.
Sources
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