- InChI
- InChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H
- InChI Key
- LFMWZTSOMGDDJU-UHFFFAOYSA-N
- Formula
- C6H4I2
- SMILES
- Ic1ccc(I)cc1
- Molecular Weight1
- 329.90
- CAS
- 624-38-4
- Other Names
-
- 1,4-Diiodbenzene
- 1,4-diiodobenzene
- Benzene, 1,4-iodo-
- Benzene, p-diiodo-
- p-Benzene diiodide
- p-diiodobenzene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| ω | 0.3048 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3093.20 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 218.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 219.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.45; 8.60] | eV |
|
| IE | 8.45 | eV | NIST |
| IE | 8.60 | eV | NIST |
| log10WS | -5.37 | Aq. Solubility Prediction | |
| logPoct/wat | 2.896 | Crippen Calculated Property | |
| McVol | 123.280 | ml/mol | McGowan Calculated Property |
| Pc | 4316.89 | kPa | Joback Calculated Property |
| Inp | [1412.00; 1450.00] |
|
|
| Inp | 1448.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Inp | 1412.00 | NIST | |
| Inp | 1412.00 | NIST | |
| I | [2176.00; 2176.00] |
|
|
| I | 2176.00 | NIST | |
| I | 2176.00 | NIST | |
| I | 2176.00 | NIST | |
| Tboil | 558.20 | K | NIST |
| Tc | 783.71 | K | Relay (1.0) Calculated Property |
| Tfus | [400.00; 403.98] | K |
|
| Tfus | 403.15 | K | Thermal, physicochemical and microstructural studies of organic analog of nonmetal-nonmetal monotectic alloy |
| Tfus | 403.98 | K | Aq. Solubility Prediction |
| Tfus | 402.00 ± 2.00 | K | NIST |
| Tfus | 400.00 ± 2.00 | K | NIST |
| Tfus | 402.15 ± 0.50 | K | NIST |
| Tfus | 402.00 ± 2.00 | K | NIST |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 160.77 | J/mol×K | 298.15 | NIST |
| ΔfusH | [22.30; 22.38] | kJ/mol | [402.00; 402.40] |
|
| ΔfusH | 22.37 | kJ/mol | 402.00 | NIST |
| ΔfusH | 22.37 | kJ/mol | 402.00 | NIST |
| ΔfusH | 22.34 | kJ/mol | 402.00 | NIST |
| ΔfusH | 22.34 | kJ/mol | 402.00 | NIST |
| ΔfusH | 22.38 | kJ/mol | 402.15 | NIST |
| ΔfusH | 22.30 | kJ/mol | 402.40 | NIST |
| ΔsubH | 63.40 | kJ/mol | 386.50 | NIST |
| ΔvapH | 52.60 | kJ/mol | 481.00 | NIST |
| ΔfusS | [55.60; 55.65] | J/mol×K | [402.00; 402.15] |
|
| ΔfusS | 55.65 | J/mol×K | 402.00 | NIST |
| ΔfusS | 55.60 | J/mol×K | 402.00 | NIST |
| ΔfusS | 55.60 | J/mol×K | 402.00 | NIST |
| ΔfusS | 55.60 | J/mol×K | 402.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.21; 225.65] | 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 | 1.21000e+00 | |||
| Coefficient B | 5.13400e-01 | |||
| Coefficient C | -4.29560e-04 | |||
| Coefficient D | 1.40600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 112.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 135.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 154.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 170.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 184.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 195.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 204.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 212.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 219.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 225.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009724; 0.0002727] | Pa×s | [402.21; 596.81] |
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 | -1.08352e+01 | |||
| Coefficient B | 1.56840e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 402.21 | |||
| Temperature range, max. | 596.81 | |||
| η | 0.0009724 | Pa×s | 402.21 | Calculated Property |
| η | 0.0007970 | Pa×s | 423.84 | Calculated Property |
| η | 0.0006659 | Pa×s | 445.46 | Calculated Property |
| η | 0.0005658 | Pa×s | 467.08 | Calculated Property |
| η | 0.0004877 | Pa×s | 488.70 | Calculated Property |
| η | 0.0004257 | Pa×s | 510.32 | Calculated Property |
| η | 0.0003757 | Pa×s | 531.94 | Calculated Property |
| η | 0.0003348 | Pa×s | 553.57 | Calculated Property |
| η | 0.0003010 | Pa×s | 575.19 | Calculated Property |
| η | 0.0002727 | Pa×s | 596.81 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [423.52; 590.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51398e+01 | |||
| Coefficient B | -4.85971e+03 | |||
| Coefficient C | -9.63160e+01 | |||
| Temperature range, min. | 423.52 | |||
| Temperature range, max. | 590.77 | |||
| Pvap | 1.33 | kPa | 423.52 | Calculated Property |
| Pvap | 2.96 | kPa | 442.10 | Calculated Property |
| Pvap | 6.07 | kPa | 460.69 | Calculated Property |
| Pvap | 11.59 | kPa | 479.27 | Calculated Property |
| Pvap | 20.84 | kPa | 497.85 | Calculated Property |
| Pvap | 35.60 | kPa | 516.44 | Calculated Property |
| Pvap | 58.11 | kPa | 535.02 | Calculated Property |
| Pvap | 91.16 | kPa | 553.60 | Calculated Property |
| Pvap | 138.04 | kPa | 572.19 | Calculated Property |
| Pvap | 202.63 | kPa | 590.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-diiodo-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Thermal, physicochemical and microstructural studies of organic analog of nonmetal-nonmetal monotectic alloy
- Enthalpies of fusion and enthalpies of solvation of aromatic hydrocarbons derivatives: Estimation of sublimation enthalpies at 298.15K
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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