- InChI
- InChI=1S/C12H25I/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
- InChI Key
- GCDPERPXPREHJF-UHFFFAOYSA-N
- Formula
- C12H25I
- SMILES
- CCCCCCCCCCCCI
- Molecular Weight1
- 296.23
- CAS
- 4292-19-7
- Other Names
-
- 1-Iodododecane
- Dodecyl iodide
- Lauryl iodide
- n-Dodecyl iodide
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.6125 | Relay (1.0) Calculated Property | |
| ΔfG° | 108.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.90 | kJ/mol | NIST |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.342 | Crippen Calculated Property | |
| McVol | 205.760 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | [1635.00; 1644.00] |
|
|
| Inp | 1644.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1644.00 | NIST | |
| Ip | [1922.00; 1953.00] |
|
|
| Ip | 1926.00 | NIST | |
| Ip | 1922.00 | NIST | |
| Ip | 1953.00 | NIST | |
| Tboil | 571.40 | K | NIST |
| Tc | 748.67 | K | Relay (1.0) Calculated Property |
| Tfus | 273.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.798 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 63.50 | kJ/mol | 531.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 432.70 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.12; 647.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.67100e+00 | |||
| Coefficient B | 1.18282e+00 | |||
| Coefficient C | -7.10400e-04 | |||
| Coefficient D | 1.71500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 277.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 340.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 397.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 448.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 492.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 532.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 566.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 597.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 623.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 647.59 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0062918; 0.0002638] | Pa×s | [273.15; 527.76] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.16428e+01 | |||
| Coefficient B | 1.79578e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 273.15 | |||
| Temperature range, max. | 527.76 | |||
| η | 0.0062918 | Pa×s | 273.15 | Calculated Property |
| η | 0.0033948 | Pa×s | 301.44 | Calculated Property |
| η | 0.0020363 | Pa×s | 329.73 | Calculated Property |
| η | 0.0013242 | Pa×s | 358.02 | Calculated Property |
| η | 0.0009171 | Pa×s | 386.31 | Calculated Property |
| η | 0.0006678 | Pa×s | 414.60 | Calculated Property |
| η | 0.0005064 | Pa×s | 442.89 | Calculated Property |
| η | 0.0003970 | Pa×s | 471.18 | Calculated Property |
| η | 0.0003199 | Pa×s | 499.47 | Calculated Property |
| η | 0.0002638 | Pa×s | 527.76 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [432.08; 605.33] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49414e+01 | |||
| Coefficient B | -4.86646e+03 | |||
| Coefficient C | -9.99850e+01 | |||
| Temperature range, min. | 432.08 | |||
| Temperature range, max. | 605.33 | |||
| Pvap | 1.33 | kPa | 432.08 | Calculated Property |
| Pvap | 2.98 | kPa | 451.33 | Calculated Property |
| Pvap | 6.11 | kPa | 470.58 | Calculated Property |
| Pvap | 11.69 | kPa | 489.83 | Calculated Property |
| Pvap | 21.03 | kPa | 509.08 | Calculated Property |
| Pvap | 35.89 | kPa | 528.33 | Calculated Property |
| Pvap | 58.50 | kPa | 547.58 | Calculated Property |
| Pvap | 91.59 | kPa | 566.83 | Calculated Property |
| Pvap | 138.39 | kPa | 586.08 | Calculated Property |
| Pvap | 202.65 | kPa | 605.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Dodecane, 1-iodo-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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