- InChI
- InChI=1S/C12H15ClO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3
- InChI Key
- APVFEMBQOQUREJ-UHFFFAOYSA-N
- Formula
- C12H15ClO2
- SMILES
- CCCCCOC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 226.70
- CAS
- 97222-04-3
- Other Names
-
- Pentyl 4-chlorobenzoate
- 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° | -92.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.79 | kJ/mol | Joback Calculated Property |
| log10WS | -4.07 | Crippen Calculated Property | |
| logPoct/wat | 3.687 | Crippen Calculated Property | |
| McVol | 175.860 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Inp | [1610.00; 1635.00] |
|
|
| Inp | 1616.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1628.00 | NIST | |
| Inp | 1610.00 | NIST | |
| Inp | 1621.00 | NIST | |
| Inp | 1616.00 | NIST | |
| I | [2124.00; 2198.00] |
|
|
| I | 2158.00 | NIST | |
| I | 2170.00 | NIST | |
| I | 2198.00 | NIST | |
| I | 2162.00 | NIST | |
| I | 2124.00 | NIST | |
| I | 2141.00 | NIST | |
| I | 2162.00 | NIST | |
| Tboil | 619.34 | K | Joback Calculated Property |
| Tc | 830.22 | K | Joback Calculated Property |
| Tfus | 366.02 | K | Joback Calculated Property |
| Vc | 0.672 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.33; 493.53] | J/mol×K | [619.34; 830.22] |
|
| Cp,gas | 421.33 | J/mol×K | 619.34 | Joback Calculated Property |
| Cp,gas | 435.34 | J/mol×K | 654.49 | Joback Calculated Property |
| Cp,gas | 448.54 | J/mol×K | 689.63 | Joback Calculated Property |
| Cp,gas | 460.94 | J/mol×K | 724.78 | Joback Calculated Property |
| Cp,gas | 472.56 | J/mol×K | 759.93 | Joback Calculated Property |
| Cp,gas | 483.41 | J/mol×K | 795.07 | Joback Calculated Property |
| Cp,gas | 493.53 | J/mol×K | 830.22 | Joback Calculated Property |
| η | [0.0001735; 0.0015544] | Pa×s | [366.02; 619.34] |
|
| η | 0.0015544 | Pa×s | 366.02 | Joback Calculated Property |
| η | 0.0008929 | Pa×s | 408.24 | Joback Calculated Property |
| η | 0.0005690 | Pa×s | 450.46 | Joback Calculated Property |
| η | 0.0003918 | Pa×s | 492.68 | Joback Calculated Property |
| η | 0.0002861 | Pa×s | 534.90 | Joback Calculated Property |
| η | 0.0002188 | Pa×s | 577.12 | Joback Calculated Property |
| η | 0.0001735 | Pa×s | 619.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, pentyl ester.
Sources
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