- InChI
- InChI=1S/C16H15ClO2/c1-2-5-12-6-3-4-7-15(12)19-16(18)13-8-10-14(17)11-9-13/h3-4,6-11H,2,5H2,1H3
- InChI Key
- OGXMTXCERAZEAE-UHFFFAOYSA-N
- Formula
- C16H15ClO2
- SMILES
- CCCc1ccccc1OC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 274.74
- 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° | 43.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.46 | Crippen Calculated Property | |
| logPoct/wat | 4.512 | Crippen Calculated Property | |
| McVol | 208.460 | ml/mol | McGowan Calculated Property |
| Pc | 2239.76 | kPa | Joback Calculated Property |
| Inp | [2101.00; 2101.00] |
|
|
| Inp | 2101.00 | NIST | |
| Inp | 2101.00 | NIST | |
| Tboil | 742.52 | K | Joback Calculated Property |
| Tc | 979.58 | K | Joback Calculated Property |
| Tfus | 450.04 | K | Joback Calculated Property |
| Vc | 0.788 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.57; 613.07] | J/mol×K | [742.52; 979.58] |
|
| Cp,gas | 542.57 | J/mol×K | 742.52 | Joback Calculated Property |
| Cp,gas | 557.06 | J/mol×K | 782.03 | Joback Calculated Property |
| Cp,gas | 570.40 | J/mol×K | 821.54 | Joback Calculated Property |
| Cp,gas | 582.62 | J/mol×K | 861.05 | Joback Calculated Property |
| Cp,gas | 593.77 | J/mol×K | 900.56 | Joback Calculated Property |
| Cp,gas | 603.91 | J/mol×K | 940.07 | Joback Calculated Property |
| Cp,gas | 613.07 | J/mol×K | 979.58 | Joback Calculated Property |
| η | [0.0001122; 0.0008553] | Pa×s | [450.04; 742.52] |
|
| η | 0.0008553 | Pa×s | 450.04 | Joback Calculated Property |
| η | 0.0005167 | Pa×s | 498.79 | Joback Calculated Property |
| η | 0.0003415 | Pa×s | 547.53 | Joback Calculated Property |
| η | 0.0002415 | Pa×s | 596.28 | Joback Calculated Property |
| η | 0.0001799 | Pa×s | 645.03 | Joback Calculated Property |
| η | 0.0001397 | Pa×s | 693.77 | Joback Calculated Property |
| η | 0.0001122 | Pa×s | 742.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, 2-propylphenyl ester.
Sources
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