- InChI
- InChI=1S/C18H27ClO2/c1-2-3-4-5-6-7-8-9-12-15-21-18(20)16-13-10-11-14-17(16)19/h10-11,13-14H,2-9,12,15H2,1H3
- InChI Key
- LZZUEDTUAJZZBG-UHFFFAOYSA-N
- Formula
- C18H27ClO2
- SMILES
- CCCCCCCCCCCOC(=O)c1ccccc1Cl
- Molecular Weight1
- 310.86
- CAS
- 97221-96-0
- Other Names
-
- Benzoic acid, 2-chloro, undecyl 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° | -42.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.14 | kJ/mol | Joback Calculated Property |
| log10WS | -6.58 | Crippen Calculated Property | |
| logPoct/wat | 6.028 | Crippen Calculated Property | |
| McVol | 260.400 | ml/mol | McGowan Calculated Property |
| Pc | 1455.68 | kPa | Joback Calculated Property |
| Inp | [2213.00; 2260.00] |
|
|
| Inp | 2232.30 | NIST | |
| Inp | 2213.00 | NIST | |
| Inp | 2260.00 | NIST | |
| I | [2841.00; 2897.00] |
|
|
| I | 2841.00 | NIST | |
| I | 2897.00 | NIST | |
| Tboil | 756.62 | K | Joback Calculated Property |
| Tc | 953.54 | K | Joback Calculated Property |
| Tfus | 433.64 | K | Joback Calculated Property |
| Vc | 1.008 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.39; 826.67] | J/mol×K | [756.62; 953.54] |
|
| Cp,gas | 741.39 | J/mol×K | 756.62 | Joback Calculated Property |
| Cp,gas | 757.96 | J/mol×K | 789.44 | Joback Calculated Property |
| Cp,gas | 773.55 | J/mol×K | 822.26 | Joback Calculated Property |
| Cp,gas | 788.18 | J/mol×K | 855.08 | Joback Calculated Property |
| Cp,gas | 801.89 | J/mol×K | 887.90 | Joback Calculated Property |
| Cp,gas | 814.71 | J/mol×K | 920.72 | Joback Calculated Property |
| Cp,gas | 826.67 | J/mol×K | 953.54 | Joback Calculated Property |
| η | [0.0000856; 0.0010302] | Pa×s | [433.64; 756.62] |
|
| η | 0.0010302 | Pa×s | 433.64 | Joback Calculated Property |
| η | 0.0005413 | Pa×s | 487.47 | Joback Calculated Property |
| η | 0.0003232 | Pa×s | 541.30 | Joback Calculated Property |
| η | 0.0002119 | Pa×s | 595.13 | Joback Calculated Property |
| η | 0.0001490 | Pa×s | 648.96 | Joback Calculated Property |
| η | 0.0001106 | Pa×s | 702.79 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 756.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, undecyl ester.
Sources
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