- InChI
- InChI=1S/C13H17ClO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9H,2-4,7,10H2,1H3
- InChI Key
- LWXVSNHMEABLCY-UHFFFAOYSA-N
- Formula
- C13H17ClO2
- SMILES
- CCCCCCOC(=O)c1ccccc1Cl
- Molecular Weight1
- 240.73
- CAS
- 97221-93-7
- Other Names
-
- Benzoic acid, 2-chloro, hexyl 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° | -84.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.49 | Crippen Calculated Property | |
| logPoct/wat | 4.077 | Crippen Calculated Property | |
| McVol | 189.950 | ml/mol | McGowan Calculated Property |
| Pc | 2181.56 | kPa | Joback Calculated Property |
| Inp | [1715.00; 1747.80] |
|
|
| Inp | 1717.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1736.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Inp | 1715.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1747.80 | NIST | |
| I | [2318.00; 2379.00] |
|
|
| I | 2338.00 | NIST | |
| I | 2349.00 | NIST | |
| I | 2379.00 | NIST | |
| I | 2353.00 | NIST | |
| I | 2318.00 | NIST | |
| I | 2338.00 | NIST | |
| Tboil | 642.22 | K | Joback Calculated Property |
| Tc | 849.84 | K | Joback Calculated Property |
| Tfus | 377.29 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [471.36; 546.71] | J/mol×K | [642.22; 849.84] |
|
| Cp,gas | 471.36 | J/mol×K | 642.22 | Joback Calculated Property |
| Cp,gas | 485.98 | J/mol×K | 676.82 | Joback Calculated Property |
| Cp,gas | 499.75 | J/mol×K | 711.43 | Joback Calculated Property |
| Cp,gas | 512.68 | J/mol×K | 746.03 | Joback Calculated Property |
| Cp,gas | 524.81 | J/mol×K | 780.63 | Joback Calculated Property |
| Cp,gas | 536.14 | J/mol×K | 815.23 | Joback Calculated Property |
| Cp,gas | 546.71 | J/mol×K | 849.84 | Joback Calculated Property |
| η | [0.0001562; 0.0014793] | Pa×s | [377.29; 642.22] |
|
| η | 0.0014793 | Pa×s | 377.29 | Joback Calculated Property |
| η | 0.0008357 | Pa×s | 421.45 | Joback Calculated Property |
| η | 0.0005262 | Pa×s | 465.60 | Joback Calculated Property |
| η | 0.0003589 | Pa×s | 509.75 | Joback Calculated Property |
| η | 0.0002602 | Pa×s | 553.91 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 598.07 | Joback Calculated Property |
| η | 0.0001562 | Pa×s | 642.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, hexyl ester.
Sources
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