- InChI
- InChI=1S/C15H21ClO2/c16-12-8-3-1-2-4-9-13-18-15(17)14-10-6-5-7-11-14/h5-7,10-11H,1-4,8-9,12-13H2
- InChI Key
- VRKHAMQZTBNMEV-UHFFFAOYSA-N
- Formula
- C15H21ClO2
- SMILES
- O=C(OCCCCCCCCCl)c1ccccc1
- Molecular Weight1
- 268.78
- 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° | -58.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 4.423 | Crippen Calculated Property | |
| McVol | 218.130 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [2134.00; 2135.00] |
|
|
| Inp | 2135.00 | NIST | |
| Inp | 2134.00 | NIST | |
| Inp | 2135.00 | NIST | |
| Tboil | 683.00 | K | Joback Calculated Property |
| Tc | 884.24 | K | Joback Calculated Property |
| Tfus | 387.31 | K | Joback Calculated Property |
| Vc | 0.841 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.27; 657.15] | J/mol×K | [683.00; 884.24] |
|
| Cp,gas | 576.27 | J/mol×K | 683.00 | Joback Calculated Property |
| Cp,gas | 591.99 | J/mol×K | 716.54 | Joback Calculated Property |
| Cp,gas | 606.78 | J/mol×K | 750.08 | Joback Calculated Property |
| Cp,gas | 620.65 | J/mol×K | 783.62 | Joback Calculated Property |
| Cp,gas | 633.65 | J/mol×K | 817.16 | Joback Calculated Property |
| Cp,gas | 645.81 | J/mol×K | 850.70 | Joback Calculated Property |
| Cp,gas | 657.15 | J/mol×K | 884.24 | Joback Calculated Property |
| η | [0.0001251; 0.0016280] | Pa×s | [387.31; 683.00] |
|
| η | 0.0016280 | Pa×s | 387.31 | Joback Calculated Property |
| η | 0.0008338 | Pa×s | 436.59 | Joback Calculated Property |
| η | 0.0004891 | Pa×s | 485.87 | Joback Calculated Property |
| η | 0.0003166 | Pa×s | 535.15 | Joback Calculated Property |
| η | 0.0002205 | Pa×s | 584.44 | Joback Calculated Property |
| η | 0.0001624 | Pa×s | 633.72 | Joback Calculated Property |
| η | 0.0001251 | Pa×s | 683.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 8-chlorooctyl ester.
Sources
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