- InChI
- InChI=1S/C10H21I/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
- InChI Key
- SKIDNYUZJPMKFC-UHFFFAOYSA-N
- Formula
- C10H21I
- SMILES
- CCCCCCCCCCI
- Molecular Weight1
- 268.18
- CAS
- 2050-77-3
- Other Names
-
- 1-Decyl iodide
- 1-Iod0decane
- 1-Iododecane
- Decyl iodide
- n-Decyl 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 | 0.5354 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.80 | kJ/mol | NIST |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.562 | Crippen Calculated Property | |
| McVol | 177.580 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Inp | [1433.00; 1433.00] |
|
|
| Inp | 1433.00 | NIST | |
| Inp | 1433.00 | NIST | |
| Ip | [1705.00; 1734.00] |
|
|
| Ip | 1706.00 | NIST | |
| Ip | 1705.00 | NIST | |
| Ip | 1734.00 | NIST | |
| Ip | 1734.00 | NIST | |
| Tboil | 523.42 | K | Relay (1.0) Calculated Property |
| Tc | 725.57 | K | Relay (1.0) Calculated Property |
| Tfus | 257.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.683 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [57.40; 58.10] | kJ/mol | [489.00; 497.50] |
|
| ΔvapH | 57.40 | kJ/mol | 489.00 | NIST |
| ΔvapH | 58.10 | kJ/mol | 497.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 405.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.70; 544.41] | 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 | 5.48900e+00 | |||
| Coefficient B | 9.92820e-01 | |||
| Coefficient C | -6.01600e-04 | |||
| Coefficient D | 1.47700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 234.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 287.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 335.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 377.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 414.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 447.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 476.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 502.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 524.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 544.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061379; 0.0002969] | Pa×s | [257.15; 498.85] |
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 | -1.13443e+01 | |||
| Coefficient B | 1.60746e+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. | 257.15 | |||
| Temperature range, max. | 498.85 | |||
| η | 0.0061379 | Pa×s | 257.15 | Calculated Property |
| η | 0.0033986 | Pa×s | 284.01 | Calculated Property |
| η | 0.0020842 | Pa×s | 310.86 | Calculated Property |
| η | 0.0013815 | Pa×s | 337.72 | Calculated Property |
| η | 0.0009729 | Pa×s | 364.57 | Calculated Property |
| η | 0.0007190 | Pa×s | 391.43 | Calculated Property |
| η | 0.0005523 | Pa×s | 418.29 | Calculated Property |
| η | 0.0004380 | Pa×s | 445.14 | Calculated Property |
| η | 0.0003567 | Pa×s | 472.00 | Calculated Property |
| η | 0.0002969 | Pa×s | 498.85 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [404.48; 591.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37437e+01 | |||
| Coefficient B | -4.22636e+03 | |||
| Coefficient C | -9.03940e+01 | |||
| Temperature range, min. | 404.48 | |||
| Temperature range, max. | 591.61 | |||
| Pvap | 1.33 | kPa | 404.48 | Calculated Property |
| Pvap | 3.07 | kPa | 425.27 | Calculated Property |
| Pvap | 6.43 | kPa | 446.06 | Calculated Property |
| Pvap | 12.39 | kPa | 466.86 | Calculated Property |
| Pvap | 22.30 | kPa | 487.65 | Calculated Property |
| Pvap | 37.86 | kPa | 508.44 | Calculated Property |
| Pvap | 61.12 | kPa | 529.23 | Calculated Property |
| Pvap | 94.50 | kPa | 550.03 | Calculated Property |
| Pvap | 140.68 | kPa | 570.82 | Calculated Property |
| Pvap | 202.64 | kPa | 591.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Decane, 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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