- InChI
- InChI=1S/C13H16Cl2O2/c14-8-3-1-2-4-9-17-13(16)11-6-5-7-12(15)10-11/h5-7,10H,1-4,8-9H2
- InChI Key
- NUEHAAPFALIYNQ-UHFFFAOYSA-N
- Formula
- C13H16Cl2O2
- SMILES
- O=C(OCCCCCCCl)c1cccc(Cl)c1
- Molecular Weight1
- 275.17
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7377 | Relay (... Calculated Property | |
| ΔfG° | -96.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.24 | kJ/mol | Relay (... Calculated Property |
| IE | 9.58 | eV | Relay (... Calculated Property |
| log10WS | -5.38 | Relay (... Calculated Property | |
| logPoct/wat | 4.296 | Crippen Calculated Property | |
| McVol | 202.190 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | [2092.00; 2092.00] |
|
|
| Inp | 2092.00 | NIST | |
| Inp | 2092.00 | NIST | |
| Tboil | 595.01 | K | Relay (... Calculated Property |
| Tc | 817.39 | K | Relay (... Calculated Property |
| Tfus | 282.32 | K | Relay (... Calculated Property |
| Vc | 0.729 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [498.04; 567.34] | J/mol×K | [679.65; 890.73] |
|
| Cp,gas | 498.04 | J/mol×K | 679.65 | Joback Calculated Property |
| Cp,gas | 511.66 | J/mol×K | 714.83 | Joback Calculated Property |
| Cp,gas | 524.42 | J/mol×K | 750.01 | Joback Calculated Property |
| Cp,gas | 536.34 | J/mol×K | 785.19 | Joback Calculated Property |
| Cp,gas | 547.45 | J/mol×K | 820.37 | Joback Calculated Property |
| Cp,gas | 557.78 | J/mol×K | 855.55 | Joback Calculated Property |
| Cp,gas | 567.34 | J/mol×K | 890.73 | Joback Calculated Property |
| η | [0.0001435; 0.0012860] | Pa×s | [407.21; 679.65] |
|
| η | 0.0012860 | Pa×s | 407.21 | Joback Calculated Property |
| η | 0.0007429 | Pa×s | 452.62 | Joback Calculated Property |
| η | 0.0004743 | Pa×s | 498.02 | Joback Calculated Property |
| η | 0.0003264 | Pa×s | 543.43 | Joback Calculated Property |
| η | 0.0002379 | Pa×s | 588.84 | Joback Calculated Property |
| η | 0.0001815 | Pa×s | 634.24 | Joback Calculated Property |
| η | 0.0001435 | Pa×s | 679.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoic acid, 6-chlorohexyl ester.
Sources
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