- InChI
- InChI=1S/C7H5ClO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
- InChI Key
- ODQPZHOXLYATLC-UHFFFAOYSA-N
- Formula
- C7H5ClO2
- SMILES
- Clc1ccc2c(c1)OCO2
- Molecular Weight1
- 156.57
- CAS
- 7228-38-8
- Other Names
-
- 1,3-Benzodioxole, 5-chloro-
- 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° | -14.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 2.069 | Crippen Calculated Property | |
| McVol | 98.850 | ml/mol | McGowan Calculated Property |
| Pc | 4559.21 | kPa | Joback Calculated Property |
| Tboil | 459.20 | K | NIST |
| Tc | 737.80 | K | Joback Calculated Property |
| Tfus | 325.35 | K | Joback Calculated Property |
| Vc | 0.368 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.14; 244.18] | J/mol×K | [498.94; 737.80] | 
|
| Cp,gas | 197.14 | J/mol×K | 498.94 | Joback Calculated Property |
| Cp,gas | 206.77 | J/mol×K | 538.75 | Joback Calculated Property |
| Cp,gas | 215.60 | J/mol×K | 578.56 | Joback Calculated Property |
| Cp,gas | 223.69 | J/mol×K | 618.37 | Joback Calculated Property |
| Cp,gas | 231.11 | J/mol×K | 658.18 | Joback Calculated Property |
| Cp,gas | 237.92 | J/mol×K | 697.99 | Joback Calculated Property |
| Cp,gas | 244.18 | J/mol×K | 737.80 | Joback Calculated Property |
| η | [0.0005441; 0.0020874] | Pa×s | [325.35; 498.94] |
|
| η | 0.0020874 | Pa×s | 325.35 | Joback Calculated Property |
| η | 0.0015224 | Pa×s | 354.28 | Joback Calculated Property |
| η | 0.0011646 | Pa×s | 383.21 | Joback Calculated Property |
| η | 0.0009250 | Pa×s | 412.14 | Joback Calculated Property |
| η | 0.0007572 | Pa×s | 441.08 | Joback Calculated Property |
| η | 0.0006354 | Pa×s | 470.01 | Joback Calculated Property |
| η | 0.0005441 | Pa×s | 498.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-1,3-benzodioxole.
Sources
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