- InChI
- InChI=1S/C8H7ClO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5H2
- InChI Key
- DWSUJONSJJTODA-UHFFFAOYSA-N
- Formula
- C8H7ClO2
- SMILES
- ClCc1ccc2c(c1)OCO2
- Molecular Weight1
- 170.59
- CAS
- 20850-43-5
- Other Names
-
- 1,3-Benzodioxole, 5-(chloromethyl)-
- Piperonyl chloride
- Toluene, «alpha»-chloro-3,4-(methylenedioxy)-
- 4-Chloromethyl-1,2-methylenedioxybenzene
- 5-(Chloromethyl)-1,3-benzodioxole
- 5-chloro-1,3-benzodioxole
- 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° | -6.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.63 | kJ/mol | Joback Calculated Property |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.154 | Crippen Calculated Property | |
| McVol | 112.940 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Inp | [1300.00; 1300.00] |
|
|
| Inp | 1300.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Tboil | 521.82 | K | Joback Calculated Property |
| Tc | 756.18 | K | Joback Calculated Property |
| Tfus | 336.62 | K | Joback Calculated Property |
| Vc | 0.424 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.31; 291.87] | J/mol×K | [521.82; 756.18] |
|
| Cp,gas | 238.31 | J/mol×K | 521.82 | Joback Calculated Property |
| Cp,gas | 249.13 | J/mol×K | 560.88 | Joback Calculated Property |
| Cp,gas | 259.11 | J/mol×K | 599.94 | Joback Calculated Property |
| Cp,gas | 268.31 | J/mol×K | 639.00 | Joback Calculated Property |
| Cp,gas | 276.79 | J/mol×K | 678.06 | Joback Calculated Property |
| Cp,gas | 284.63 | J/mol×K | 717.12 | Joback Calculated Property |
| Cp,gas | 291.87 | J/mol×K | 756.18 | Joback Calculated Property |
| η | [0.0005210; 0.0021664] | Pa×s | [336.62; 521.82] |
|
| η | 0.0021664 | Pa×s | 336.62 | Joback Calculated Property |
| η | 0.0015462 | Pa×s | 367.49 | Joback Calculated Property |
| η | 0.0011628 | Pa×s | 398.35 | Joback Calculated Property |
| η | 0.0009111 | Pa×s | 429.22 | Joback Calculated Property |
| η | 0.0007376 | Pa×s | 460.09 | Joback Calculated Property |
| η | 0.0006132 | Pa×s | 490.95 | Joback Calculated Property |
| η | 0.0005210 | Pa×s | 521.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Methylenedioxybenzyl chloride.
Sources
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