- InChI
- InChI=1S/C7H13ClO2/c1-3-4-5-6(8)7(9)10-2/h6H,3-5H2,1-2H3
- InChI Key
- ZKEGALQDZGNQIK-UHFFFAOYSA-N
- Formula
- C7H13ClO2
- SMILES
- CCCCC(Cl)C(=O)OC
- Molecular Weight1
- 164.63
- CAS
- 14925-60-1
- Other Names
-
- methyl 2-chlorohexanoate
- 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 | 0.4553 | Relay (1.0) Calculated Property | |
| ΔfG° | -240.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.957 | Crippen Calculated Property | |
| McVol | 129.170 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Inp | 1047.00 | NIST | |
| I | [1436.00; 1470.00] |
|
|
| I | 1436.00 | NIST | |
| I | 1470.00 | NIST | |
| I | 1436.00 | NIST | |
| Tboil | 435.33 | K | Relay (1.0) Calculated Property |
| Tc | 633.19 | K | Relay (1.0) Calculated Property |
| Tfus | 229.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.41; 325.59] | J/mol×K | [472.84; 659.46] |
|
| Cp,gas | 265.41 | J/mol×K | 472.84 | Joback Calculated Property |
| Cp,gas | 276.52 | J/mol×K | 503.94 | Joback Calculated Property |
| Cp,gas | 287.19 | J/mol×K | 535.05 | Joback Calculated Property |
| Cp,gas | 297.44 | J/mol×K | 566.15 | Joback Calculated Property |
| Cp,gas | 307.25 | J/mol×K | 597.25 | Joback Calculated Property |
| Cp,gas | 316.63 | J/mol×K | 628.35 | Joback Calculated Property |
| Cp,gas | 325.59 | J/mol×K | 659.46 | Joback Calculated Property |
| η | [0.0002680; 0.0043091] | Pa×s | [255.73; 472.84] |
|
| η | 0.0043091 | Pa×s | 255.73 | Joback Calculated Property |
| η | 0.0020358 | Pa×s | 291.92 | Joback Calculated Property |
| η | 0.0011348 | Pa×s | 328.10 | Joback Calculated Property |
| η | 0.0007104 | Pa×s | 364.28 | Joback Calculated Property |
| η | 0.0004840 | Pa×s | 400.47 | Joback Calculated Property |
| η | 0.0003514 | Pa×s | 436.65 | Joback Calculated Property |
| η | 0.0002680 | Pa×s | 472.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorohexanoic acid, methyl ester.
Sources
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