- InChI
- InChI=1S/C11H21ClO2/c1-9(2)10(3)14-11(13)7-5-4-6-8-12/h9-10H,4-8H2,1-3H3
- InChI Key
- DQDKDMPCYNRZJX-UHFFFAOYSA-N
- Formula
- C11H21ClO2
- SMILES
- CC(C)C(C)OC(=O)CCCCCCl
- Molecular Weight1
- 220.74
- 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.
- 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° | -208.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 3.373 | Crippen Calculated Property | |
| McVol | 185.530 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | [1496.00; 1496.00] |
|
|
| Inp | 1496.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Tboil | 563.92 | K | Joback Calculated Property |
| Tc | 746.42 | K | Joback Calculated Property |
| Tfus | 285.81 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.26; 527.73] | J/mol×K | [563.92; 746.42] |
|
| Cp,gas | 447.26 | J/mol×K | 563.92 | Joback Calculated Property |
| Cp,gas | 462.29 | J/mol×K | 594.34 | Joback Calculated Property |
| Cp,gas | 476.66 | J/mol×K | 624.75 | Joback Calculated Property |
| Cp,gas | 490.37 | J/mol×K | 655.17 | Joback Calculated Property |
| Cp,gas | 503.45 | J/mol×K | 685.59 | Joback Calculated Property |
| Cp,gas | 515.90 | J/mol×K | 716.00 | Joback Calculated Property |
| Cp,gas | 527.73 | J/mol×K | 746.42 | Joback Calculated Property |
| η | [0.0001743; 0.0051422] | Pa×s | [285.81; 563.92] |
|
| η | 0.0051422 | Pa×s | 285.81 | Joback Calculated Property |
| η | 0.0019735 | Pa×s | 332.16 | Joback Calculated Property |
| η | 0.0009576 | Pa×s | 378.51 | Joback Calculated Property |
| η | 0.0005441 | Pa×s | 424.87 | Joback Calculated Property |
| η | 0.0003455 | Pa×s | 471.22 | Joback Calculated Property |
| η | 0.0002380 | Pa×s | 517.57 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 563.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, 3-methylbut-2-yl ester.
Sources
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