- InChI
- InChI=1S/C15H21ClO2/c1-3-4-5-6-8-12(2)18-15(17)13-9-7-10-14(16)11-13/h7,9-12H,3-6,8H2,1-2H3
- InChI Key
- DRJCEVLJJXITPT-UHFFFAOYSA-N
- Formula
- C15H21ClO2
- SMILES
- CCCCCCC(C)OC(=O)c1cccc(Cl)c1
- 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° | -70.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.44 | Crippen Calculated Property | |
| logPoct/wat | 4.856 | Crippen Calculated Property | |
| McVol | 218.130 | ml/mol | McGowan Calculated Property |
| Pc | 1849.92 | kPa | Joback Calculated Property |
| Inp | 1861.00 | NIST | |
| Tboil | 687.54 | K | Joback Calculated Property |
| Tc | 893.09 | K | Joback Calculated Property |
| Tfus | 384.83 | K | Joback Calculated Property |
| Vc | 0.835 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.17; 657.61] | J/mol×K | [687.54; 893.09] | 
|
| Cp,gas | 576.17 | J/mol×K | 687.54 | Joback Calculated Property |
| Cp,gas | 592.04 | J/mol×K | 721.80 | Joback Calculated Property |
| Cp,gas | 606.95 | J/mol×K | 756.06 | Joback Calculated Property |
| Cp,gas | 620.94 | J/mol×K | 790.31 | Joback Calculated Property |
| Cp,gas | 634.03 | J/mol×K | 824.57 | Joback Calculated Property |
| Cp,gas | 646.24 | J/mol×K | 858.83 | Joback Calculated Property |
| Cp,gas | 657.61 | J/mol×K | 893.09 | Joback Calculated Property |
| η | [0.0001153; 0.0015693] | Pa×s | [384.83; 687.54] |
|
| η | 0.0015693 | Pa×s | 384.83 | Joback Calculated Property |
| η | 0.0007892 | Pa×s | 435.28 | Joback Calculated Property |
| η | 0.0004578 | Pa×s | 485.73 | Joback Calculated Property |
| η | 0.0002942 | Pa×s | 536.18 | Joback Calculated Property |
| η | 0.0002040 | Pa×s | 586.64 | Joback Calculated Property |
| η | 0.0001499 | Pa×s | 637.09 | Joback Calculated Property |
| η | 0.0001153 | Pa×s | 687.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octan-2-yl 3-chlorobenzoate.
Sources
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