- InChI
- InChI=1S/C15H21ClO2/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11H,2-6,9,12H2,1H3
- InChI Key
- MBYHWDNNJFEZEI-UHFFFAOYSA-N
- Formula
- C15H21ClO2
- SMILES
- CCCCCCCCOC(=O)c1ccccc1Cl
- Molecular Weight1
- 268.78
- CAS
- 97221-94-8
- Other Names
-
- Benzoic acid, 2-chloro, octyl 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° | -67.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -388.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.46 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 4.857 | Crippen Calculated Property | |
| McVol | 218.130 | ml/mol | McGowan Calculated Property |
| Pc | 1837.26 | kPa | Joback Calculated Property |
| Inp | [1915.00; 1941.00] |
|
|
| Inp | 1925.00 | NIST | |
| Inp | 1915.00 | NIST | |
| Inp | 1925.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Inp | 1941.00 | NIST | |
| Inp | 1922.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Inp | 1941.00 | NIST | |
| I | [2532.00; 2575.00] |
|
|
| I | 2555.00 | NIST | |
| I | 2539.00 | NIST | |
| I | 2555.00 | NIST | |
| I | 2575.00 | NIST | |
| I | 2566.00 | NIST | |
| I | 2532.00 | NIST | |
| I | 2556.00 | NIST | |
| I | 2566.00 | NIST | |
| Tboil | 687.98 | K | Joback Calculated Property |
| Tc | 890.06 | K | Joback Calculated Property |
| Tfus | 399.83 | K | Joback Calculated Property |
| Vc | 0.841 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.67; 655.94] | J/mol×K | [687.98; 890.06] |
|
| Cp,gas | 575.67 | J/mol×K | 687.98 | Joback Calculated Property |
| Cp,gas | 591.24 | J/mol×K | 721.66 | Joback Calculated Property |
| Cp,gas | 605.90 | J/mol×K | 755.34 | Joback Calculated Property |
| Cp,gas | 619.68 | J/mol×K | 789.02 | Joback Calculated Property |
| Cp,gas | 632.59 | J/mol×K | 822.70 | Joback Calculated Property |
| Cp,gas | 644.67 | J/mol×K | 856.38 | Joback Calculated Property |
| Cp,gas | 655.94 | J/mol×K | 890.06 | Joback Calculated Property |
| η | [0.0001245; 0.0013068] | Pa×s | [399.83; 687.98] |
|
| η | 0.0013068 | Pa×s | 399.83 | Joback Calculated Property |
| η | 0.0007157 | Pa×s | 447.86 | Joback Calculated Property |
| η | 0.0004405 | Pa×s | 495.88 | Joback Calculated Property |
| η | 0.0002954 | Pa×s | 543.90 | Joback Calculated Property |
| η | 0.0002113 | Pa×s | 591.93 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 639.96 | Joback Calculated Property |
| η | 0.0001245 | Pa×s | 687.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, octyl ester.
Sources
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