- InChI
- InChI=1S/C12H23ClO2/c1-2-3-4-5-8-11-15-12(14)9-6-7-10-13/h2-11H2,1H3
- InChI Key
- PSTOZFWGSOOMNV-UHFFFAOYSA-N
- Formula
- C12H23ClO2
- SMILES
- CCCCCCCOC(=O)CCCCCl
- Molecular Weight1
- 234.76
- CAS
- 2323-67-3
- 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° | -195.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.909 | Crippen Calculated Property | |
| McVol | 199.620 | ml/mol | McGowan Calculated Property |
| Pc | 1793.94 | kPa | Joback Calculated Property |
| Inp | [1643.90; 1643.90] |
|
|
| Inp | 1643.90 | NIST | |
| Inp | 1643.90 | NIST | |
| Tboil | 587.68 | K | Joback Calculated Property |
| Tc | 762.26 | K | Joback Calculated Property |
| Tfus | 327.08 | K | Joback Calculated Property |
| Vc | 0.780 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.42; 577.32] | J/mol×K | [587.68; 762.26] |
|
| Cp,gas | 496.42 | J/mol×K | 587.68 | Joback Calculated Property |
| Cp,gas | 511.47 | J/mol×K | 616.78 | Joback Calculated Property |
| Cp,gas | 525.87 | J/mol×K | 645.87 | Joback Calculated Property |
| Cp,gas | 539.64 | J/mol×K | 674.97 | Joback Calculated Property |
| Cp,gas | 552.80 | J/mol×K | 704.07 | Joback Calculated Property |
| Cp,gas | 565.36 | J/mol×K | 733.17 | Joback Calculated Property |
| Cp,gas | 577.32 | J/mol×K | 762.26 | Joback Calculated Property |
| η | [0.0001781; 0.0026085] | Pa×s | [327.08; 587.68] |
|
| η | 0.0026085 | Pa×s | 327.08 | Joback Calculated Property |
| η | 0.0012830 | Pa×s | 370.51 | Joback Calculated Property |
| η | 0.0007323 | Pa×s | 413.95 | Joback Calculated Property |
| η | 0.0004650 | Pa×s | 457.38 | Joback Calculated Property |
| η | 0.0003194 | Pa×s | 500.81 | Joback Calculated Property |
| η | 0.0002330 | Pa×s | 544.25 | Joback Calculated Property |
| η | 0.0001781 | Pa×s | 587.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, heptyl ester.
Sources
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