- InChI
- InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H
- InChI Key
- SFPQFQUXAJOWNF-UHFFFAOYSA-N
- Formula
- C6H4I2
- SMILES
- Ic1cccc(I)c1
- Molecular Weight1
- 329.90
- CAS
- 626-00-6
- Other Names
-
- 1,3-Diiodobenzene
- Benzene, m-diiodo-
- m-Diiodobenzene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 | 0.2868 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3119.60 ± 4.20 | kJ/mol | NIST |
| ΔfG° | 218.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 230.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | 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 | 1431.00 | NIST | |
| I | 2161.00 | NIST | |
| Tboil | 558.20 | K | NIST |
| Tc | 790.49 | K | Relay (1.0) Calculated Property |
| Tfus | [307.35; 310.00] | K |
|
| Tfus | 308.00 ± 1.50 | K | NIST |
| Tfus | 310.00 ± 1.50 | K | NIST |
| Tfus | 307.35 ± 0.50 | K | NIST |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.80; 213.79] | J/mol×K | [554.62; 852.28] |
|
| Cp,gas | 177.80 | J/mol×K | 554.62 | Joback Calculated Property |
| Cp,gas | 185.61 | J/mol×K | 604.23 | Joback Calculated Property |
| Cp,gas | 192.55 | J/mol×K | 653.84 | Joback Calculated Property |
| Cp,gas | 198.74 | J/mol×K | 703.45 | Joback Calculated Property |
| Cp,gas | 204.27 | J/mol×K | 753.06 | Joback Calculated Property |
| Cp,gas | 209.25 | J/mol×K | 802.67 | Joback Calculated Property |
| Cp,gas | 213.79 | J/mol×K | 852.28 | Joback Calculated Property |
| η | [0.0003330; 0.0029814] | Pa×s | [312.44; 554.62] |
|
| η | 0.0029814 | Pa×s | 312.44 | Joback Calculated Property |
| η | 0.0016788 | Pa×s | 352.80 | Joback Calculated Property |
| η | 0.0010637 | Pa×s | 393.17 | Joback Calculated Property |
| η | 0.0007337 | Pa×s | 433.53 | Joback Calculated Property |
| η | 0.0005391 | Pa×s | 473.89 | Joback Calculated Property |
| η | 0.0004158 | Pa×s | 514.26 | Joback Calculated Property |
| η | 0.0003330 | Pa×s | 554.62 | Joback Calculated Property |
| ΔfusH | [15.93; 15.94] | kJ/mol | [307.35; 307.40] |
|
| ΔfusH | 15.94 | kJ/mol | 307.35 | NIST |
| ΔfusH | 15.93 | kJ/mol | 307.40 | NIST |
| ΔfusH | 15.93 | kJ/mol | 307.40 | NIST |
| ΔfusS | 51.90 | J/mol×K | 307.35 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [423.52; 590.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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, 1,3-diiodo-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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