- InChI
- InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
- InChI Key
- KMWHQYDMBYABKL-UHFFFAOYSA-N
- Formula
- C16H33I
- SMILES
- CCCCCCCCCCCCCCCCI
- Molecular Weight1
- 352.34
- CAS
- 544-77-4
- Other Names
-
- 1-Iodohexadecane
- Cetyl iodide
- Hexadecyl iodide
- n-Hexadecyl 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° | 141.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.60 | kJ/mol | NIST |
| log10WS | -7.47 | Crippen Calculated Property | |
| logPoct/wat | 6.903 | Crippen Calculated Property | |
| McVol | 262.120 | ml/mol | McGowan Calculated Property |
| Pc | 1297.66 | kPa | Joback Calculated Property |
| Inp | [2038.00; 2064.00] |
|
|
| Inp | 2064.00 | NIST | |
| Inp | 2038.00 | NIST | |
| Inp | 2064.00 | NIST | |
| Inp | 2038.00 | NIST | |
| I | [2362.00; 2400.00] |
|
|
| I | 2362.00 | NIST | |
| I | 2400.00 | NIST | |
| I | 2400.00 | NIST | |
| Tboil | 658.62 | K | Joback Calculated Property |
| Tc | 838.91 | K | Joback Calculated Property |
| Tfus | 293.00 ± 3.00 | K | NIST |
| Vc | 1.020 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.39; 787.36] | J/mol×K | [658.62; 838.91] |
|
| Cp,gas | 689.39 | J/mol×K | 658.62 | Joback Calculated Property |
| Cp,gas | 707.74 | J/mol×K | 688.67 | Joback Calculated Property |
| Cp,gas | 725.24 | J/mol×K | 718.72 | Joback Calculated Property |
| Cp,gas | 741.92 | J/mol×K | 748.77 | Joback Calculated Property |
| Cp,gas | 757.80 | J/mol×K | 778.82 | Joback Calculated Property |
| Cp,gas | 772.94 | J/mol×K | 808.86 | Joback Calculated Property |
| Cp,gas | 787.36 | J/mol×K | 838.91 | Joback Calculated Property |
| η | [0.0001276; 0.0035352] | Pa×s | [328.14; 658.62] |
|
| η | 0.0035352 | Pa×s | 328.14 | Joback Calculated Property |
| η | 0.0013651 | Pa×s | 383.22 | Joback Calculated Property |
| η | 0.0006695 | Pa×s | 438.30 | Joback Calculated Property |
| η | 0.0003850 | Pa×s | 493.38 | Joback Calculated Property |
| η | 0.0002474 | Pa×s | 548.46 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 603.54 | Joback Calculated Property |
| η | 0.0001276 | Pa×s | 658.62 | Joback Calculated Property |
| ΔvapH | 73.00 | kJ/mol | 574.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 479.70 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [479.12; 642.56] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.64627e+01 | |||
| Coefficient B | -5.86815e+03 | |||
| Coefficient C | -1.16332e+02 | |||
| Temperature range, min. | 479.12 | |||
| Temperature range, max. | 642.56 | |||
| Pvap | 1.33 | kPa | 479.12 | Calculated Property |
| Pvap | 2.88 | kPa | 497.28 | Calculated Property |
| Pvap | 5.81 | kPa | 515.44 | Calculated Property |
| Pvap | 11.02 | kPa | 533.60 | Calculated Property |
| Pvap | 19.81 | kPa | 551.76 | Calculated Property |
| Pvap | 33.97 | kPa | 569.92 | Calculated Property |
| Pvap | 55.90 | kPa | 588.08 | Calculated Property |
| Pvap | 88.65 | kPa | 606.24 | Calculated Property |
| Pvap | 136.02 | kPa | 624.40 | Calculated Property |
| Pvap | 202.63 | kPa | 642.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecane, 1-iodo-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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