- InChI
- InChI=1S/C9H7Cl3O2/c10-7-3-1-6(2-4-7)9(13)14-5-8(11)12/h1-4,8H,5H2
- InChI Key
- UWGKJXMGYWWQCD-UHFFFAOYSA-N
- Formula
- C9H7Cl3O2
- SMILES
- O=C(OCC(Cl)Cl)c1ccc(Cl)cc1
- Molecular Weight1
- 253.51
- 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° | -144.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.49 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 3.300 | Crippen Calculated Property | |
| McVol | 158.070 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Inp | [1622.00; 1647.00] |
|
|
| Inp | 1622.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Inp | 1633.00 | NIST | |
| Inp | 1622.00 | NIST | |
| Tboil | 625.12 | K | Joback Calculated Property |
| Tc | 859.74 | K | Joback Calculated Property |
| Tfus | 377.05 | K | Joback Calculated Property |
| Vc | 0.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.67; 376.57] | J/mol×K | [625.12; 859.74] |
|
| Cp,gas | 326.67 | J/mol×K | 625.12 | Joback Calculated Property |
| Cp,gas | 336.80 | J/mol×K | 664.22 | Joback Calculated Property |
| Cp,gas | 346.18 | J/mol×K | 703.33 | Joback Calculated Property |
| Cp,gas | 354.82 | J/mol×K | 742.43 | Joback Calculated Property |
| Cp,gas | 362.75 | J/mol×K | 781.53 | Joback Calculated Property |
| Cp,gas | 369.99 | J/mol×K | 820.63 | Joback Calculated Property |
| Cp,gas | 376.57 | J/mol×K | 859.74 | Joback Calculated Property |
| η | [0.0001945; 0.0017005] | Pa×s | [377.05; 625.12] |
|
| η | 0.0017005 | Pa×s | 377.05 | Joback Calculated Property |
| η | 0.0009910 | Pa×s | 418.39 | Joback Calculated Property |
| η | 0.0006365 | Pa×s | 459.74 | Joback Calculated Property |
| η | 0.0004397 | Pa×s | 501.09 | Joback Calculated Property |
| η | 0.0003214 | Pa×s | 542.43 | Joback Calculated Property |
| η | 0.0002456 | Pa×s | 583.77 | Joback Calculated Property |
| η | 0.0001945 | Pa×s | 625.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-chloro, 2,2-dichloroethyl ester.
Sources
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