- InChI
- InChI=1S/C16H23ClO2/c1-14-9-8-10-15(13-14)16(18)19-12-7-5-3-2-4-6-11-17/h8-10,13H,2-7,11-12H2,1H3
- InChI Key
- UGLLUBHBOJCKAL-UHFFFAOYSA-N
- Formula
- C16H23ClO2
- SMILES
- Cc1cccc(C(=O)OCCCCCCCCCl)c1
- Molecular Weight1
- 282.81
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8291 | Relay (... Calculated Property | |
| ΔfG° | -59.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.35 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.12 | kJ/mol | Relay (... Calculated Property |
| IE | 9.17 | eV | Relay (... Calculated Property |
| log10WS | -5.71 | Relay (... Calculated Property | |
| logPoct/wat | 4.731 | Crippen Calculated Property | |
| McVol | 232.220 | ml/mol | McGowan Calculated Property |
| Pc | 1694.90 | kPa | Joback Calculated Property |
| Inp | [2257.00; 2257.00] |
|
|
| Inp | 2257.00 | NIST | |
| Inp | 2257.00 | NIST | |
| Tboil | 612.49 | K | Relay (... Calculated Property |
| Tc | 825.39 | K | Relay (... Calculated Property |
| Tfus | 283.51 | K | Relay (... Calculated Property |
| Vc | 0.855 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [629.76; 711.96] | J/mol×K | [710.86; 910.76] |
|
| Cp,gas | 629.76 | J/mol×K | 710.86 | Joback Calculated Property |
| Cp,gas | 645.71 | J/mol×K | 744.18 | Joback Calculated Property |
| Cp,gas | 660.72 | J/mol×K | 777.49 | Joback Calculated Property |
| Cp,gas | 674.83 | J/mol×K | 810.81 | Joback Calculated Property |
| Cp,gas | 688.05 | J/mol×K | 844.12 | Joback Calculated Property |
| Cp,gas | 700.42 | J/mol×K | 877.44 | Joback Calculated Property |
| Cp,gas | 711.96 | J/mol×K | 910.76 | Joback Calculated Property |
| η | [0.0001103; 0.0012148] | Pa×s | [411.10; 710.86] |
|
| η | 0.0012148 | Pa×s | 411.10 | Joback Calculated Property |
| η | 0.0006558 | Pa×s | 461.06 | Joback Calculated Property |
| η | 0.0003994 | Pa×s | 511.02 | Joback Calculated Property |
| η | 0.0002657 | Pa×s | 560.98 | Joback Calculated Property |
| η | 0.0001889 | Pa×s | 610.94 | Joback Calculated Property |
| η | 0.0001415 | Pa×s | 660.90 | Joback Calculated Property |
| η | 0.0001103 | Pa×s | 710.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methyl-, 8-chlorooctyl ester.
Sources
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