- InChI
- InChI=1S/C13H15ClO2/c14-11-6-4-5-10(9-11)13(15)16-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8H2
- InChI Key
- ZTIHECJKSNZAQC-UHFFFAOYSA-N
- Formula
- C13H15ClO2
- SMILES
- O=C(OC1CCCCC1)c1cccc(Cl)c1
- Molecular Weight1
- 238.71
- 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° | -60.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -292.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.44 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.830 | Crippen Calculated Property | |
| McVol | 179.090 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Inp | 1836.00 | NIST | |
| Tboil | 661.77 | K | Joback Calculated Property |
| Tc | 905.78 | K | Joback Calculated Property |
| Tfus | 384.67 | K | Joback Calculated Property |
| Vc | 0.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.22; 547.88] | J/mol×K | [661.77; 905.78] | 
|
| Cp,gas | 462.22 | J/mol×K | 661.77 | Joback Calculated Property |
| Cp,gas | 479.76 | J/mol×K | 702.44 | Joback Calculated Property |
| Cp,gas | 495.95 | J/mol×K | 743.11 | Joback Calculated Property |
| Cp,gas | 510.81 | J/mol×K | 783.78 | Joback Calculated Property |
| Cp,gas | 524.39 | J/mol×K | 824.45 | Joback Calculated Property |
| Cp,gas | 536.74 | J/mol×K | 865.11 | Joback Calculated Property |
| Cp,gas | 547.88 | J/mol×K | 905.78 | Joback Calculated Property |
| η | [0.0001658; 0.0017801] | Pa×s | [384.67; 661.77] |
|
| η | 0.0017801 | Pa×s | 384.67 | Joback Calculated Property |
| η | 0.0009695 | Pa×s | 430.85 | Joback Calculated Property |
| η | 0.0005940 | Pa×s | 477.04 | Joback Calculated Property |
| η | 0.0003968 | Pa×s | 523.22 | Joback Calculated Property |
| η | 0.0002830 | Pa×s | 569.40 | Joback Calculated Property |
| η | 0.0002123 | Pa×s | 615.59 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 661.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, cyclohexyl ester.
Sources
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