- InChI
- InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
- InChI Key
- PFIADAMVCJPXSF-UHFFFAOYSA-N
- Formula
- C8H8Cl2O2
- SMILES
- COc1cc(Cl)c(OC)cc1Cl
- Molecular Weight1
- 207.05
- CAS
- 2675-77-6
- Other Names
-
- 1,4-Dichloro-2,5-dimethoxybenzene
- Benzene, 1,4-dichloro-2,5-dimethoxy-
- Chloronebe
- Demasan
- Demosan
- Demosan 65W
- NSC 151546
- Soil Fungicide 1823
- Terraneb SP
- Tersan SP
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 20.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Aq. Solubility Prediction | |
| logPoct/wat | 3.011 | Crippen Calculated Property | |
| McVol | 136.040 | ml/mol | McGowan Calculated Property |
| Inp | [1464.00; 1509.00] |
|
|
| Inp | 1508.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Inp | Outlier 1464.00 | NIST | |
| Tboil | 520.96 | K | Relay (1.0) Calculated Property |
| Tc | 753.23 | K | Relay (1.0) Calculated Property |
| Tfus | [404.16; 404.40] | K |
|
| Tfus | 404.16 ± 0.20 | K | NIST |
| Tfus | 404.40 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [27.56; 27.56] | kJ/mol | [403.90; 403.90] |
|
| ΔfusH | 27.56 | kJ/mol | 403.90 | NIST |
| ΔfusH | 27.56 | kJ/mol | 403.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.21; 357.95] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.13900e+01 | |||
| Coefficient B | 3.93640e-01 | |||
| Coefficient C | -6.02800e-05 | |||
| Coefficient D | -5.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 210.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 236.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 260.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 282.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 302.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 320.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 335.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 348.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 357.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004629; 0.0001827] | Pa×s | [404.28; 535.95] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.14630e+01 | |||
| Coefficient B | 1.53018e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 404.28 | |||
| Temperature range, max. | 535.95 | |||
| η | 0.0004629 | Pa×s | 404.28 | Calculated Property |
| η | 0.0004056 | Pa×s | 418.91 | Calculated Property |
| η | 0.0003585 | Pa×s | 433.54 | Calculated Property |
| η | 0.0003195 | Pa×s | 448.17 | Calculated Property |
| η | 0.0002868 | Pa×s | 462.80 | Calculated Property |
| η | 0.0002592 | Pa×s | 477.43 | Calculated Property |
| η | 0.0002356 | Pa×s | 492.06 | Calculated Property |
| η | 0.0002154 | Pa×s | 506.69 | Calculated Property |
| η | 0.0001979 | Pa×s | 521.32 | Calculated Property |
| η | 0.0001827 | Pa×s | 535.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Chloroneb.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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