- InChI
- InChI=1S/C10H18Cl2O2/c11-8-6-4-2-1-3-5-7-10(13)14-9-12/h1-9H2
- InChI Key
- AAVUFTKCHHFPHZ-UHFFFAOYSA-N
- Formula
- C10H18Cl2O2
- SMILES
- O=C(CCCCCCCCCl)OCCl
- Molecular Weight1
- 241.16
- CAS
- 80418-78-6
- Other Names
-
- 9-Chlorononanoic 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 | 0.7105 | Relay (1.0) Calculated Property | |
| ΔfG° | -224.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.695 | Crippen Calculated Property | |
| McVol | 183.680 | ml/mol | McGowan Calculated Property |
| Pc | 2054.89 | kPa | Joback Calculated Property |
| Inp | [1647.00; 1657.00] |
|
|
| Inp | 1647.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1654.00 | NIST | |
| I | [2255.00; 2302.00] |
|
|
| I | 2255.00 | NIST | |
| I | 2286.00 | NIST | |
| I | 2302.00 | NIST | |
| Tboil | 545.20 | K | Relay (1.0) Calculated Property |
| Tc | 743.18 | K | Relay (1.0) Calculated Property |
| Tfus | 279.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.683 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [427.35; 496.91] | J/mol×K | [579.35; 761.47] |
|
| Cp,gas | 427.35 | J/mol×K | 579.35 | Joback Calculated Property |
| Cp,gas | 440.37 | J/mol×K | 609.70 | Joback Calculated Property |
| Cp,gas | 452.81 | J/mol×K | 640.06 | Joback Calculated Property |
| Cp,gas | 464.67 | J/mol×K | 670.41 | Joback Calculated Property |
| Cp,gas | 475.97 | J/mol×K | 700.77 | Joback Calculated Property |
| Cp,gas | 486.72 | J/mol×K | 731.12 | Joback Calculated Property |
| Cp,gas | 496.91 | J/mol×K | 761.47 | Joback Calculated Property |
| η | [0.0002069; 0.0024726] | Pa×s | [334.46; 579.35] |
|
| η | 0.0024726 | Pa×s | 334.46 | Joback Calculated Property |
| η | 0.0013060 | Pa×s | 375.28 | Joback Calculated Property |
| η | 0.0007818 | Pa×s | 416.09 | Joback Calculated Property |
| η | 0.0005129 | Pa×s | 456.90 | Joback Calculated Property |
| η | 0.0003606 | Pa×s | 497.72 | Joback Calculated Property |
| η | 0.0002675 | Pa×s | 538.53 | Joback Calculated Property |
| η | 0.0002069 | Pa×s | 579.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 9-chlorononanoate.
Sources
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