- InChI
- InChI=1S/C8H15ClO2/c1-11-8(10)6-4-2-3-5-7-9/h2-7H2,1H3
- InChI Key
- YKSFGXAJDCLJKE-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- COC(=O)CCCCCCCl
- Molecular Weight1
- 178.66
- Other Names
-
- Heptanoic acid, 7-chloro, methyl 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° | -229.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 2.349 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Pc | 2558.51 | kPa | Joback Calculated Property |
| Inp | [1257.00; 1267.00] |
|
|
| Inp | 1257.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1257.00 | NIST | |
| I | [1756.00; 1842.00] |
|
|
| I | 1756.00 | NIST | |
| I | 1799.00 | NIST | |
| I | 1842.00 | NIST | |
| I | 1756.00 | NIST | |
| Tboil | 496.16 | K | Joback Calculated Property |
| Tc | 677.00 | K | Joback Calculated Property |
| Tfus | 282.00 | K | Joback Calculated Property |
| Vc | 0.556 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.66; 371.92] | J/mol×K | [496.16; 677.00] |
|
| Cp,gas | 307.66 | J/mol×K | 496.16 | Joback Calculated Property |
| Cp,gas | 319.52 | J/mol×K | 526.30 | Joback Calculated Property |
| Cp,gas | 330.91 | J/mol×K | 556.44 | Joback Calculated Property |
| Cp,gas | 341.84 | J/mol×K | 586.58 | Joback Calculated Property |
| Cp,gas | 352.32 | J/mol×K | 616.72 | Joback Calculated Property |
| Cp,gas | 362.34 | J/mol×K | 646.86 | Joback Calculated Property |
| Cp,gas | 371.92 | J/mol×K | 677.00 | Joback Calculated Property |
| η | [0.0002618; 0.0030458] | Pa×s | [282.00; 496.16] |
|
| η | 0.0030458 | Pa×s | 282.00 | Joback Calculated Property |
| η | 0.0016080 | Pa×s | 317.69 | Joback Calculated Property |
| η | 0.0009658 | Pa×s | 353.39 | Joback Calculated Property |
| η | 0.0006370 | Pa×s | 389.08 | Joback Calculated Property |
| η | 0.0004506 | Pa×s | 424.77 | Joback Calculated Property |
| η | 0.0003363 | Pa×s | 460.47 | Joback Calculated Property |
| η | 0.0002618 | Pa×s | 496.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Chloroheptanoic acid, methyl ester.
Sources
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