- InChI
- InChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H
- InChI Key
- BBOLNFYSRZVALD-UHFFFAOYSA-N
- Formula
- C6H4I2
- SMILES
- Ic1ccccc1I
- Molecular Weight1
- 329.90
- CAS
- 615-42-9
- Other Names
-
- 1,2-Diiodobenzene
- Benzene, o-diiodo-
- o-Diiodobenzene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid 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).
- ΔfH°liquid : Liquid phase 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).
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.2753 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3120.00 ± 2.00 | kJ/mol | NIST |
| ΔfG° | 218.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 252.00 ± 5.90 | kJ/mol | NIST |
| ΔfH°liquid | 187.00 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 13.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.90 ± 4.20 | kJ/mol | NIST |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.896 | Crippen Calculated Property | |
| McVol | 123.280 | ml/mol | McGowan Calculated Property |
| Pc | 4316.89 | kPa | Joback Calculated Property |
| Inp | [1445.00; 1445.00] |
|
|
| Inp | 1445.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1445.00 | NIST | |
| I | [2244.00; 2244.00] |
|
|
| I | 2244.00 | NIST | |
| I | 2244.00 | NIST | |
| Tboil | 536.04 | K | Relay (1.0) Calculated Property |
| Tc | 789.74 | K | Relay (1.0) Calculated Property |
| Tfus | [296.55; 300.00] | K |
|
| Tfus | 297.00 ± 1.50 | K | NIST |
| Tfus | 300.00 ± 1.50 | K | NIST |
| Tfus | 296.55 ± 0.50 | K | NIST |
| Tfus | 296.55 ± 0.50 | K | NIST |
| Vc | 0.404 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.84; 213.82] | J/mol×K | [554.82; 852.59] |
|
| Cp,gas | 177.84 | J/mol×K | 554.82 | Joback Calculated Property |
| Cp,gas | 185.64 | J/mol×K | 604.45 | Joback Calculated Property |
| Cp,gas | 192.58 | J/mol×K | 654.08 | Joback Calculated Property |
| Cp,gas | 198.77 | J/mol×K | 703.70 | Joback Calculated Property |
| Cp,gas | 204.30 | J/mol×K | 753.33 | Joback Calculated Property |
| Cp,gas | 209.28 | J/mol×K | 802.96 | Joback Calculated Property |
| Cp,gas | 213.82 | J/mol×K | 852.59 | Joback Calculated Property |
| Cp,liquid | [190.00; 194.00] | J/mol×K | [298.15; 330.00] |
|
| Cp,liquid | 190.00 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 190.00 | J/mol×K | 300.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 191.00 | J/mol×K | 310.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 193.00 | J/mol×K | 320.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 194.00 | J/mol×K | 330.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| η | [0.0003327; 0.0029814] | Pa×s | [312.44; 554.82] |
|
| η | 0.0029814 | Pa×s | 312.44 | Joback Calculated Property |
| η | 0.0016781 | Pa×s | 352.84 | Joback Calculated Property |
| η | 0.0010629 | Pa×s | 393.23 | Joback Calculated Property |
| η | 0.0007331 | Pa×s | 433.63 | Joback Calculated Property |
| η | 0.0005386 | Pa×s | 474.03 | Joback Calculated Property |
| η | 0.0004154 | Pa×s | 514.42 | Joback Calculated Property |
| η | 0.0003327 | Pa×s | 554.82 | Joback Calculated Property |
| ΔfusH | [14.01; 14.08] | kJ/mol | [296.55; 296.60] |
|
| ΔfusH | 14.08 | kJ/mol | 296.55 | NIST |
| ΔfusH | 14.08 | kJ/mol | 296.55 | NIST |
| ΔfusH | 14.01 | kJ/mol | 296.60 | NIST |
| ΔfusH | 14.01 | kJ/mol | 296.60 | NIST |
| ΔfusS | [47.50; 47.50] | J/mol×K | [296.55; 296.55] |
|
| ΔfusS | 47.50 | J/mol×K | 296.55 | NIST |
| ΔfusS | 47.50 | J/mol×K | 296.55 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 425.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [425.12; 619.67] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37879e+01 | |||
| Coefficient B | -4.43145e+03 | |||
| Coefficient C | -9.68720e+01 | |||
| Temperature range, min. | 425.12 | |||
| Temperature range, max. | 619.67 | |||
| Pvap | 1.33 | kPa | 425.12 | Calculated Property |
| Pvap | 3.07 | kPa | 446.74 | Calculated Property |
| Pvap | 6.42 | kPa | 468.35 | Calculated Property |
| Pvap | 12.36 | kPa | 489.97 | Calculated Property |
| Pvap | 22.25 | kPa | 511.59 | Calculated Property |
| Pvap | 37.78 | kPa | 533.20 | Calculated Property |
| Pvap | 61.02 | kPa | 554.82 | Calculated Property |
| Pvap | 94.38 | kPa | 576.44 | Calculated Property |
| Pvap | 140.60 | kPa | 598.05 | Calculated Property |
| Pvap | 202.65 | kPa | 619.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-diiodo-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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