- InChI
- InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
- InChI Key
- UWLHSHAHTBJTBA-UHFFFAOYSA-N
- Formula
- C8H17I
- SMILES
- CCCCCCCCI
- Molecular Weight1
- 240.12
- CAS
- 629-27-6
- Other Names
-
- 1-Iodooctane
- 1-Jodoktan
- 1-Octyl iodide
- 1-n-Octyl iodide
- Octyl iodide
- n-Octyl iodide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 74.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -131.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.70 | kJ/mol | NIST |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.782 | Crippen Calculated Property | |
| McVol | 149.400 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| Inp | [1221.00; 1236.00] |
|
|
| Inp | 1221.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1225.00 | NIST | |
| I | [1487.00; 1508.00] |
|
|
| I | 1493.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1508.00 | NIST | |
| Tboil | [498.70; 499.15] | K |
|
| Tboil | 498.70 | K | NIST |
| Tboil | 499.15 ± 0.60 | K | NIST |
| Tc | 671.37 | K | Joback Calculated Property |
| Tfus | 227.45 ± 0.50 | K | NIST |
| Vc | 0.572 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.98; 361.67] | J/mol×K | [475.58; 671.37] |
|
| Cp,gas | 290.98 | J/mol×K | 475.58 | Joback Calculated Property |
| Cp,gas | 304.29 | J/mol×K | 508.21 | Joback Calculated Property |
| Cp,gas | 316.96 | J/mol×K | 540.84 | Joback Calculated Property |
| Cp,gas | 329.00 | J/mol×K | 573.48 | Joback Calculated Property |
| Cp,gas | 340.45 | J/mol×K | 606.11 | Joback Calculated Property |
| Cp,gas | 351.33 | J/mol×K | 638.74 | Joback Calculated Property |
| Cp,gas | 361.67 | J/mol×K | 671.37 | Joback Calculated Property |
| η | [0.0003119; 0.0061362] | Pa×s | [237.98; 475.58] |
|
| η | 0.0061362 | Pa×s | 237.98 | Joback Calculated Property |
| η | 0.0026208 | Pa×s | 277.58 | Joback Calculated Property |
| η | 0.0013843 | Pa×s | 317.18 | Joback Calculated Property |
| η | 0.0008425 | Pa×s | 356.78 | Joback Calculated Property |
| η | 0.0005662 | Pa×s | 396.38 | Joback Calculated Property |
| η | 0.0004090 | Pa×s | 435.98 | Joback Calculated Property |
| η | 0.0003119 | Pa×s | 475.58 | Joback Calculated Property |
| ΔvapH | 50.70 | kJ/mol | 472.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.70 | K | 0.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [373.61; 529.33] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47947e+01 | |||
| Coefficient B | -4.26424e+03 | |||
| Coefficient C | -7.96660e+01 | |||
| Temperature range, min. | 373.61 | |||
| Temperature range, max. | 529.33 | |||
| Pvap | 1.33 | kPa | 373.61 | Calculated Property |
| Pvap | 2.99 | kPa | 390.91 | Calculated Property |
| Pvap | 6.15 | kPa | 408.21 | Calculated Property |
| Pvap | 11.76 | kPa | 425.52 | Calculated Property |
| Pvap | 21.17 | kPa | 442.82 | Calculated Property |
| Pvap | 36.11 | kPa | 460.12 | Calculated Property |
| Pvap | 58.79 | kPa | 477.42 | Calculated Property |
| Pvap | 91.92 | kPa | 494.73 | Calculated Property |
| Pvap | 138.66 | kPa | 512.03 | Calculated Property |
| Pvap | 202.66 | kPa | 529.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 1-iodo-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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