- InChI
- InChI=1S/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3
- InChI Key
- XFLOGTUFKZCFTK-UHFFFAOYSA-N
- Formula
- C8H17I
- SMILES
- CCCCCCC(C)I
- Molecular Weight1
- 240.12
- CAS
- 557-36-8
- Other Names
-
- 2-Iodooctane
- 2-Octyl iodide
- sec-Octyl 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).
- 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.
- Tboil : Normal Boiling Point Temperature (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 | 0.4113 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.780 | Crippen Calculated Property | |
| McVol | 149.400 | ml/mol | McGowan Calculated Property |
| Pc | 2500.00 | kPa | Joback Calculated Property |
| Inp | [1119.00; 1124.00] |
|
|
| Inp | 1119.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Tboil | 481.81 | K | Relay (1.0) Calculated Property |
| Tc | 688.88 | K | Relay (1.0) Calculated Property |
| Tfus | 208.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.96; 441.77] | 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 | 5.62500e+00 | |||
| Coefficient B | 8.08740e-01 | |||
| Coefficient C | -4.96000e-04 | |||
| Coefficient D | 1.23400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 191.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 235.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 273.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 307.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 337.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 364.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 387.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 407.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 425.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 441.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0094969; 0.0003004] | Pa×s | [222.98; 472.97] |
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 | -1.11908e+01 | |||
| Coefficient B | 1.45696e+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. | 222.98 | |||
| Temperature range, max. | 472.97 | |||
| η | 0.0094969 | Pa×s | 222.98 | Calculated Property |
| η | 0.0046052 | Pa×s | 250.76 | Calculated Property |
| η | 0.0025799 | Pa×s | 278.53 | Calculated Property |
| η | 0.0016055 | Pa×s | 306.31 | Calculated Property |
| η | 0.0010811 | Pa×s | 334.09 | Calculated Property |
| η | 0.0007735 | Pa×s | 361.86 | Calculated Property |
| η | 0.0005805 | Pa×s | 389.64 | Calculated Property |
| η | 0.0004526 | Pa×s | 417.42 | Calculated Property |
| η | 0.0003641 | Pa×s | 445.19 | Calculated Property |
| η | 0.0003004 | Pa×s | 472.97 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [361.52; 516.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46081e+01 | |||
| Coefficient B | -4.09643e+03 | |||
| Coefficient C | -7.54660e+01 | |||
| Temperature range, min. | 361.52 | |||
| Temperature range, max. | 516.10 | |||
| Pvap | 1.33 | kPa | 361.52 | Calculated Property |
| Pvap | 3.00 | kPa | 378.70 | Calculated Property |
| Pvap | 6.19 | kPa | 395.87 | Calculated Property |
| Pvap | 11.86 | kPa | 413.05 | Calculated Property |
| Pvap | 21.35 | kPa | 430.22 | Calculated Property |
| Pvap | 36.38 | kPa | 447.40 | Calculated Property |
| Pvap | 59.16 | kPa | 464.57 | Calculated Property |
| Pvap | 92.33 | kPa | 481.75 | Calculated Property |
| Pvap | 138.98 | kPa | 498.92 | Calculated Property |
| Pvap | 202.64 | kPa | 516.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Octane, 2-iodo-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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