- InChI
- InChI=1S/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2
- InChI Key
- QLIMAARBRDAYGQ-UHFFFAOYSA-N
- Formula
- C6H12I2
- SMILES
- ICCCCCCI
- Molecular Weight1
- 337.97
- CAS
- 629-09-4
- Other Names
-
- 1,6-Diiodohexane
- Hexamethylene diiodide
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.4336 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -38.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.417 | Crippen Calculated Property | |
| McVol | 147.040 | ml/mol | McGowan Calculated Property |
| Pc | 2960.12 | kPa | Joback Calculated Property |
| Tboil | 414.50 ± 0.50 | K | NIST |
| Tc | 757.86 | K | Relay (1.0) Calculated Property |
| Tfus | 282.60 ± 0.30 | K | NIST |
| Vc | 0.512 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.42; 308.35] | J/mol×K | [522.96; 757.45] | 
|
| Cp,gas | 254.42 | J/mol×K | 522.96 | Joback Calculated Property |
| Cp,gas | 265.00 | J/mol×K | 562.04 | Joback Calculated Property |
| Cp,gas | 274.87 | J/mol×K | 601.12 | Joback Calculated Property |
| Cp,gas | 284.09 | J/mol×K | 640.20 | Joback Calculated Property |
| Cp,gas | 292.71 | J/mol×K | 679.28 | Joback Calculated Property |
| Cp,gas | 300.78 | J/mol×K | 718.36 | Joback Calculated Property |
| Cp,gas | 308.35 | J/mol×K | 757.45 | Joback Calculated Property |
| η | [0.0003396; 0.0054005] | Pa×s | [273.50; 522.96] |
|
| η | 0.0054005 | Pa×s | 273.50 | Joback Calculated Property |
| η | 0.0025122 | Pa×s | 315.08 | Joback Calculated Property |
| η | 0.0013969 | Pa×s | 356.65 | Joback Calculated Property |
| η | 0.0008780 | Pa×s | 398.23 | Joback Calculated Property |
| η | 0.0006025 | Pa×s | 439.81 | Joback Calculated Property |
| η | 0.0004413 | Pa×s | 481.38 | Joback Calculated Property |
| η | 0.0003396 | Pa×s | 522.96 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [414.70; 436.20] | K | [1.30; 2.40] |
|
| Tboilr | 414.70 | K | 1.30 | NIST |
| Tboilr | 436.20 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [401.60; 597.76] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.33964e+01 | |||
| Coefficient B | -4.13821e+03 | |||
| Coefficient C | -8.59180e+01 | |||
| Temperature range, min. | 401.60 | |||
| Temperature range, max. | 597.76 | |||
| Pvap | 1.33 | kPa | 401.60 | Calculated Property |
| Pvap | 3.11 | kPa | 423.40 | Calculated Property |
| Pvap | 6.54 | kPa | 445.19 | Calculated Property |
| Pvap | 12.64 | kPa | 466.99 | Calculated Property |
| Pvap | 22.75 | kPa | 488.78 | Calculated Property |
| Pvap | 38.54 | kPa | 510.58 | Calculated Property |
| Pvap | 62.02 | kPa | 532.37 | Calculated Property |
| Pvap | 95.47 | kPa | 554.17 | Calculated Property |
| Pvap | 141.44 | kPa | 575.96 | Calculated Property |
| Pvap | 202.65 | kPa | 597.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 1,6-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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