- InChI
- InChI=1S/C21H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-24-21(23)19-16-13-14-17-20(19)22/h13-14,16-17H,2-12,15,18H2,1H3
- InChI Key
- NATDFLAPWQOQKI-UHFFFAOYSA-N
- Formula
- C21H33ClO2
- SMILES
- CCCCCCCCCCCCCCOC(=O)c1ccccc1Cl
- Molecular Weight1
- 352.94
- 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° | -17.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.82 | kJ/mol | Joback Calculated Property |
| log10WS | -7.84 | Crippen Calculated Property | |
| logPoct/wat | 7.198 | Crippen Calculated Property | |
| McVol | 302.670 | ml/mol | McGowan Calculated Property |
| Pc | 1181.71 | kPa | Joback Calculated Property |
| Inp | [2592.10; 2592.10] |
|
|
| Inp | 2592.10 | NIST | |
| Inp | 2592.10 | NIST | |
| Tboil | 825.26 | K | Joback Calculated Property |
| Tc | 1021.88 | K | Joback Calculated Property |
| Tfus | 467.45 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.32; 1005.13] | J/mol×K | [825.26; 1021.88] |
|
| Cp,gas | 916.32 | J/mol×K | 825.26 | Joback Calculated Property |
| Cp,gas | 933.67 | J/mol×K | 858.03 | Joback Calculated Property |
| Cp,gas | 949.95 | J/mol×K | 890.80 | Joback Calculated Property |
| Cp,gas | 965.19 | J/mol×K | 923.57 | Joback Calculated Property |
| Cp,gas | 979.45 | J/mol×K | 956.34 | Joback Calculated Property |
| Cp,gas | 992.75 | J/mol×K | 989.11 | Joback Calculated Property |
| Cp,gas | 1005.13 | J/mol×K | 1021.88 | Joback Calculated Property |
| η | [0.0000571; 0.0007730] | Pa×s | [467.45; 825.26] |
|
| η | 0.0007730 | Pa×s | 467.45 | Joback Calculated Property |
| η | 0.0003916 | Pa×s | 527.09 | Joback Calculated Property |
| η | 0.0002278 | Pa×s | 586.72 | Joback Calculated Property |
| η | 0.0001464 | Pa×s | 646.36 | Joback Calculated Property |
| η | 0.0001014 | Pa×s | 705.99 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 765.62 | Joback Calculated Property |
| η | 0.0000571 | Pa×s | 825.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, tetradecyl ester.
Sources
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