- InChI
- InChI=1S/C18H37I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3
- InChI Key
- ZNJOCVLVYVOUGB-UHFFFAOYSA-N
- Formula
- C18H37I
- SMILES
- CCCCCCCCCCCCCCCCCCI
- Molecular Weight1
- 380.39
- CAS
- 629-93-6
- Other Names
-
- 1-Iodooctadecane
- Octadecyl iodide
- Stearyl iodide
- n-Octadecyl 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° | 158.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.30 | kJ/mol | NIST |
| log10WS | -8.31 | Crippen Calculated Property | |
| logPoct/wat | 7.683 | Crippen Calculated Property | |
| McVol | 290.300 | ml/mol | McGowan Calculated Property |
| Pc | 1135.20 | kPa | Joback Calculated Property |
| Inp | [2240.00; 2290.00] |
|
|
| Inp | 2272.00 | NIST | |
| Inp | 2240.00 | NIST | |
| Inp | 2290.00 | NIST | |
| Inp | 2290.00 | NIST | |
| I | 2576.00 | NIST | |
| Tboil | 656.20 | K | NIST |
| Tc | 883.65 | K | Joback Calculated Property |
| Tfus | 307.00 ± 3.00 | K | NIST |
| Vc | 1.131 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [803.35; 905.12] | J/mol×K | [704.38; 883.65] |
|
| Cp,gas | 803.35 | J/mol×K | 704.38 | Joback Calculated Property |
| Cp,gas | 822.42 | J/mol×K | 734.26 | Joback Calculated Property |
| Cp,gas | 840.60 | J/mol×K | 764.14 | Joback Calculated Property |
| Cp,gas | 857.92 | J/mol×K | 794.02 | Joback Calculated Property |
| Cp,gas | 874.42 | J/mol×K | 823.90 | Joback Calculated Property |
| Cp,gas | 890.14 | J/mol×K | 853.77 | Joback Calculated Property |
| Cp,gas | 905.12 | J/mol×K | 883.65 | Joback Calculated Property |
| η | [0.0000975; 0.0028659] | Pa×s | [350.68; 704.38] |
|
| η | 0.0028659 | Pa×s | 350.68 | Joback Calculated Property |
| η | 0.0010877 | Pa×s | 409.63 | Joback Calculated Property |
| η | 0.0005268 | Pa×s | 468.58 | Joback Calculated Property |
| η | 0.0003000 | Pa×s | 527.53 | Joback Calculated Property |
| η | 0.0001913 | Pa×s | 586.48 | Joback Calculated Property |
| η | 0.0001325 | Pa×s | 645.43 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 704.38 | Joback Calculated Property |
| ΔvapH | 77.20 | kJ/mol | 584.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [468.50; 468.70] | K | [0.30; 0.30] |
|
| Tboilr | 468.70 | K | 0.30 | NIST |
| Tboilr | 468.50 ± 1.50 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [499.92; 671.11] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63563e+01 | |||
| Coefficient B | -6.04763e+03 | |||
| Coefficient C | -1.23560e+02 | |||
| Temperature range, min. | 499.92 | |||
| Temperature range, max. | 671.11 | |||
| Pvap | 1.33 | kPa | 499.92 | Calculated Property |
| Pvap | 2.89 | kPa | 518.94 | Calculated Property |
| Pvap | 5.83 | kPa | 537.96 | Calculated Property |
| Pvap | 11.06 | kPa | 556.98 | Calculated Property |
| Pvap | 19.88 | kPa | 576.00 | Calculated Property |
| Pvap | 34.09 | kPa | 595.03 | Calculated Property |
| Pvap | 56.06 | kPa | 614.05 | Calculated Property |
| Pvap | 88.83 | kPa | 633.07 | Calculated Property |
| Pvap | 136.17 | kPa | 652.09 | Calculated Property |
| Pvap | 202.64 | kPa | 671.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecane, 1-iodo-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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