- InChI
- InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
- InChI Key
- SNHMUERNLJLMHN-UHFFFAOYSA-N
- Formula
- C6H5I
- SMILES
- Ic1ccccc1
- Molecular Weight1
- 204.01
- CAS
- 591-50-4
- Other Names
-
- BENZENE IODIDE
- Iodobenzene
- PHENYL IODIDE
- 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).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- 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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2490 | KDB | |
| ΔcH°liquid | [-3192.80; -3192.80] | kJ/mol |
|
| ΔcH°liquid | -3192.80 ± 4.20 | kJ/mol | NIST |
| ΔcH°liquid | -3192.80 ± 4.20 | kJ/mol | NIST |
| μ | 1.40 | debye | KDB |
| ΔfG° | 187.90 | kJ/mol | KDB |
| ΔfH°gas | [162.70; 165.00] | kJ/mol |
|
| ΔfH°gas | 162.70 | kJ/mol | KDB |
| ΔfH°gas | 165.00 ± 5.90 | kJ/mol | NIST |
| ΔfH°liquid | 117.00 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 9.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [47.40; 48.90] | kJ/mol |
|
| ΔvapH° | 47.40 | kJ/mol | NIST |
| ΔvapH° | 48.90 | kJ/mol | NIST |
| ΔvapH° | 47.70 ± 4.20 | kJ/mol | NIST |
| IE | [8.67; 9.05] | eV |
|
| IE | 8.72 ± 0.04 | eV | NIST |
| IE | 8.79 | eV | NIST |
| IE | 8.75 | eV | NIST |
| IE | 8.69 | eV | NIST |
| IE | 8.79 | eV | NIST |
| IE | 8.70 | eV | NIST |
| IE | Outlier 9.05 | eV | NIST |
| IE | 8.77 ± 0.02 | eV | NIST |
| IE | 8.67 | eV | NIST |
| IE | 8.73 ± 0.01 | eV | NIST |
| IE | 8.69 | eV | NIST |
| IE | 8.73 ± 0.03 | eV | NIST |
| IE | 8.80 | eV | NIST |
| IE | 8.67 | eV | NIST |
| log10WS | [-3.01; -2.89] |
|
|
| log10WS | -2.89 | Aq. Sol... | |
| log10WS | -3.01 | Estimat... | |
| logPoct/wat | 2.291 | Crippen Calculated Property | |
| McVol | 97.460 | ml/mol | McGowan Calculated Property |
| Pc | 4520.00 | kPa | KDB |
| Inp | [1033.00; 1088.00] |
|
|
| Inp | 1079.60 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1075.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1079.60 | NIST | |
| Inp | 1033.00 | NIST | |
| I | [1569.00; 1569.00] |
|
|
| I | 1569.00 | NIST | |
| I | 1569.00 | NIST | |
| S°liquid | 205.40 | J/mol×K | NIST |
| Tboil | 461.60 | K | KDB |
| Tc | 721.00 | K | KDB |
| Tfus | [241.80; 242.15] | K |
|
| Tfus | 241.80 | K | KDB |
| Tfus | 242.05 | K | Aq. Sol... |
| Tfus | 242.15 ± 1.00 | K | NIST |
| Tfus | 241.90 ± 0.02 | K | NIST |
| Tfus | 241.80 ± 0.30 | K | NIST |
| Ttriple | 241.80 ± 0.25 | K | NIST |
| Vc | 0.351 | m3/kmol | KDB |
| Zc | 0.2646510 | KDB | |
| Zra | 0.26 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.37; 190.37] | J/mol×K | [456.50; 713.20] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 140 150 160 170 180 190 500 600 700 | ||||
| Cp,gas | 144.37 | J/mol×K | 456.50 | Joback Calculated Property |
| Cp,gas | 153.92 | J/mol×K | 499.28 | Joback Calculated Property |
| Cp,gas | 162.63 | J/mol×K | 542.07 | Joback Calculated Property |
| Cp,gas | 170.58 | J/mol×K | 584.85 | Joback Calculated Property |
| Cp,gas | 177.81 | J/mol×K | 627.64 | Joback Calculated Property |
| Cp,gas | 184.39 | J/mol×K | 670.42 | Joback Calculated Property |
| Cp,gas | 190.37 | J/mol×K | 713.20 | Joback Calculated Property |
| Cp,liquid | [158.40; 158.70] | J/mol×K | [298.10; 298.15] |
|
| Cp,liquid | 158.70 | J/mol×K | 298.10 | NIST |
| Cp,liquid | 158.40 | J/mol×K | 298.15 | NIST |
| Cp,solid | 112.10 | J/mol×K | 226.10 | NIST |
| η | [0.0003575; 0.0041749] | Pa×s | [241.86; 456.50] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 300 400 | ||||
| η | 0.0041749 | Pa×s | 241.86 | Joback Calculated Property |
| η | 0.0021288 | Pa×s | 277.63 | Joback Calculated Property |
| η | 0.0012659 | Pa×s | 313.41 | Joback Calculated Property |
| η | 0.0008374 | Pa×s | 349.18 | Joback Calculated Property |
| η | 0.0005981 | Pa×s | 384.95 | Joback Calculated Property |
| η | 0.0004524 | Pa×s | 420.73 | Joback Calculated Property |
| η | 0.0003575 | Pa×s | 456.50 | Joback Calculated Property |
| ΔfusH | [9.75; 9.75] | kJ/mol | [241.80; 241.83] |
|
| ΔfusH | 9.75 | kJ/mol | 241.80 | NIST |
| ΔfusH | 9.75 | kJ/mol | 241.80 | NIST |
| ΔfusH | 9.75 | kJ/mol | 241.83 | NIST |
| ΔvapH | [39.50; 51.40] | kJ/mol | [249.00; 570.50] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 40 42 44 46 48 50 52 300 400 500 | ||||
| ΔvapH | 43.10 | kJ/mol | 249.00 | NIST |
| ΔvapH | 40.00 | kJ/mol | 275.50 | NIST |
| ΔvapH | 51.40 | kJ/mol | 315.50 | NIST |
| ΔvapH | 46.00 | kJ/mol | 450.50 | NIST |
| ΔvapH | 39.50 | kJ/mol | 461.60 | KDB |
| ΔvapH | 41.10 | kJ/mol | 570.50 | NIST |
| Pvap | [0.05; 0.39] | kPa | [283.80; 314.60] |
|
|
T(K) Vapor pressure (kPa) 0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 290 300 310 | ||||
| Pvap | 0.05 | kPa | 283.80 | Thermoc... |
| Pvap | 0.06 | kPa | 286.80 | Thermoc... |
| Pvap | 0.08 | kPa | 289.90 | Thermoc... |
| Pvap | 0.10 | kPa | 293.00 | Thermoc... |
| Pvap | 0.10 | kPa | 294.00 | Thermoc... |
| Pvap | 0.13 | kPa | 296.80 | Thermoc... |
| Pvap | 0.15 | kPa | 299.60 | Thermoc... |
| Pvap | 0.19 | kPa | 302.60 | Thermoc... |
| Pvap | 0.22 | kPa | 305.70 | Thermoc... |
| Pvap | 0.27 | kPa | 308.70 | Thermoc... |
| Pvap | 0.32 | kPa | 311.80 | Thermoc... |
| Pvap | 0.39 | kPa | 314.60 | Thermoc... |
| ρl | 1855.00 | kg/m3 | 277.00 | KDB |
| ΔfusS | 40.31 | J/mol×K | 241.83 | NIST |
| γ | 0.04 | N/m | 293.20 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [336.11; 492.86] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43953e+01 | |||
| Coefficient B | -3.99844e+03 | |||
| Coefficient C | -5.26870e+01 | |||
| Temperature range, min. | 336.11 | |||
| Temperature range, max. | 492.86 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 336.11 | Calculated Property |
| Pvap | 3.02 | kPa | 353.53 | Calculated Property |
| Pvap | 6.24 | kPa | 370.94 | Calculated Property |
| Pvap | 11.98 | kPa | 388.36 | Calculated Property |
| Pvap | 21.57 | kPa | 405.78 | Calculated Property |
| Pvap | 36.73 | kPa | 423.19 | Calculated Property |
| Pvap | 59.62 | kPa | 440.61 | Calculated Property |
| Pvap | 92.84 | kPa | 458.03 | Calculated Property |
| Pvap | 139.40 | kPa | 475.44 | Calculated Property |
| Pvap | 202.66 | kPa | 492.86 | Calculated Property |
| Pvap | [1.16e-03; 4473.13] | kPa | [241.83; 721.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.00267e+01 | |||
| Coefficient B | -8.12638e+03 | |||
| Coefficient C | -7.90248e+00 | |||
| Coefficient D | 3.17808e-06 | |||
| Temperature range, min. | 241.83 | |||
| Temperature range, max. | 721.15 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 400 600 | ||||
| Pvap | 1.16e-03 | kPa | 241.83 | Calculated Property |
| Pvap | 0.11 | kPa | 295.09 | Calculated Property |
| Pvap | 2.29 | kPa | 348.35 | Calculated Property |
| Pvap | 18.64 | kPa | 401.60 | Calculated Property |
| Pvap | 86.10 | kPa | 454.86 | Calculated Property |
| Pvap | 274.81 | kPa | 508.12 | Calculated Property |
| Pvap | 683.12 | kPa | 561.38 | Calculated Property |
| Pvap | 1427.65 | kPa | 614.63 | Calculated Property |
| Pvap | 2639.80 | kPa | 667.89 | Calculated Property |
| Pvap | 4473.13 | kPa | 721.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, iodo-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Phase behavior of ionic liquids 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imides with halogenated benzenes
- Solubilities of 4-Phenyltoluene, Phenylboric Acid, Biphenyl, and Iodobenzene in Carbon Dioxide from Measurements of the Relative Permittivity
- Thermochemistry of Halogen-Substituted Methylbenzenes
- Liquid-Liquid Equilibria in Binary Mixtures Containing Chlorobenzene, Bromobenzene, and Iodobenzene with Ionic Liquid 1-Ethyl-3-methylimidazolim Bis(trifluoromethylsulfonyl)imide
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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