- InChI
- InChI=1S/C17H16Cl2O2/c1-3-11(2)12-4-7-14(8-5-12)21-17(20)13-6-9-15(18)16(19)10-13/h4-11H,3H2,1-2H3
- InChI Key
- LLWWZWKTVYXRGI-UHFFFAOYSA-N
- Formula
- C17H16Cl2O2
- SMILES
-
CCC(C)c1ccc(OC(=O)c2ccc(Cl)c(C
l)c2)cc1 - Molecular Weight1
- 323.21
- CAS
- 109157-31-5
- 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).
- 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° | 27.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.51 | kJ/mol | Joback Calculated Property |
| log10WS | -6.53 | Crippen Calculated Property | |
| logPoct/wat | 5.726 | Crippen Calculated Property | |
| McVol | 234.790 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Tboil | 807.37 | K | Joback Calculated Property |
| Tc | 1047.33 | K | Joback Calculated Property |
| Tfus | 488.75 | K | Joback Calculated Property |
| Vc | 0.887 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.76; 684.57] | J/mol×K | [807.37; 1047.33] | 
|
| Cp,gas | 619.76 | J/mol×K | 807.37 | Joback Calculated Property |
| Cp,gas | 633.36 | J/mol×K | 847.36 | Joback Calculated Property |
| Cp,gas | 645.77 | J/mol×K | 887.36 | Joback Calculated Property |
| Cp,gas | 657.06 | J/mol×K | 927.35 | Joback Calculated Property |
| Cp,gas | 667.25 | J/mol×K | 967.35 | Joback Calculated Property |
| Cp,gas | 676.41 | J/mol×K | 1007.34 | Joback Calculated Property |
| Cp,gas | 684.57 | J/mol×K | 1047.33 | Joback Calculated Property |
| η | [0.0000823; 0.0006573] | Pa×s | [488.75; 807.37] |
|
| η | 0.0006573 | Pa×s | 488.75 | Joback Calculated Property |
| η | 0.0003924 | Pa×s | 541.85 | Joback Calculated Property |
| η | 0.0002568 | Pa×s | 594.96 | Joback Calculated Property |
| η | 0.0001802 | Pa×s | 648.06 | Joback Calculated Property |
| η | 0.0001334 | Pa×s | 701.16 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 754.27 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 807.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dichlorobenzoic acid, 4-sec-butylphenyl ester.
Sources
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