- InChI
- InChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3
- InChI Key
- IQRUSQUYPCHEKN-UHFFFAOYSA-N
- Formula
- C4H9I
- SMILES
- CCC(C)I
- Molecular Weight1
- 184.02
- CAS
- 513-48-4
- Other Names
-
- 2-Butyl Iodide
- 2-IODOBUTANE
- 2-Jodbutan
- SEC-BUTYL IODIDE
- SEC-IODOBUTANE
- UN 2390
- sec-C4H9I
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | 38.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [37.90; 38.80] | kJ/mol |
|
| ΔvapH° | 38.49 | kJ/mol | NIST |
| ΔvapH° | 37.90 | kJ/mol | NIST |
| ΔvapH° | 38.80 | kJ/mol | NIST |
| ΔvapH° | 38.50 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 38.46 ± 0.06 | kJ/mol | NIST |
| IE | [9.09; 9.40] | eV |
|
| IE | 9.10 ± 0.02 | eV | NIST |
| IE | 9.10 | eV | NIST |
| IE | 9.10 | eV | NIST |
| IE | 9.13 | eV | NIST |
| IE | 9.09 ± 0.02 | eV | NIST |
| IE | Outlier 9.40 | eV | NIST |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.220 | Crippen Calculated Property | |
| McVol | 93.040 | ml/mol | McGowan Calculated Property |
| Pc | 3829.28 | kPa | Joback Calculated Property |
| Inp | 789.00 | NIST | |
| I | [1019.00; 1019.00] |
|
|
| I | 1019.00 | NIST | |
| I | 1019.00 | NIST | |
| Tboil | [391.15; 393.20] | K |
|
| Tboil | 393.15 | K | KDB |
| Tboil | 392.70 | K | NIST |
| Tboil | 393.00 | K | NIST |
| Tboil | 393.20 | K | NIST |
| Tboil | 392.70 ± 2.00 | K | NIST |
| Tboil | 391.40 ± 1.00 | K | NIST |
| Tboil | 391.15 ± 1.50 | K | NIST |
| Tc | 593.02 | K | Joback Calculated Property |
| Tfus | [133.15; 168.95] | K |
|
| Tfus | 133.15 | K | KDB |
| Tfus | 168.95 ± 0.40 | K | NIST |
| Vc | 0.342 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.04; 181.41] | J/mol×K | [383.62; 593.02] |
|
| Cp,gas | 137.04 | J/mol×K | 383.62 | Joback Calculated Property |
| Cp,gas | 145.49 | J/mol×K | 418.52 | Joback Calculated Property |
| Cp,gas | 153.49 | J/mol×K | 453.42 | Joback Calculated Property |
| Cp,gas | 161.06 | J/mol×K | 488.32 | Joback Calculated Property |
| Cp,gas | 168.23 | J/mol×K | 523.22 | Joback Calculated Property |
| Cp,gas | 175.01 | J/mol×K | 558.12 | Joback Calculated Property |
| Cp,gas | 181.41 | J/mol×K | 593.02 | Joback Calculated Property |
| Cp,liquid | 165.30 | J/mol×K | 298.15 | NIST |
| η | [0.0003918; 0.0101698] | Pa×s | [177.90; 383.62] |
|
| η | 0.0101698 | Pa×s | 177.90 | Joback Calculated Property |
| η | 0.0038120 | Pa×s | 212.19 | Joback Calculated Property |
| η | 0.0018774 | Pa×s | 246.47 | Joback Calculated Property |
| η | 0.0010993 | Pa×s | 280.76 | Joback Calculated Property |
| η | 0.0007232 | Pa×s | 315.05 | Joback Calculated Property |
| η | 0.0005165 | Pa×s | 349.33 | Joback Calculated Property |
| η | 0.0003918 | Pa×s | 383.62 | Joback Calculated Property |
| ΔvapH | 33.27 | kJ/mol | 393.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [291.84; 414.58] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.76031e+01 | |||
| Coefficient B | -5.19995e+03 | |||
| Coefficient C | 8.46400e+00 | |||
| Temperature range, min. | 291.84 | |||
| Temperature range, max. | 414.58 | |||
| Pvap | 1.33 | kPa | 291.84 | Calculated Property |
| Pvap | 2.83 | kPa | 305.48 | Calculated Property |
| Pvap | 5.64 | kPa | 319.12 | Calculated Property |
| Pvap | 10.63 | kPa | 332.75 | Calculated Property |
| Pvap | 19.09 | kPa | 346.39 | Calculated Property |
| Pvap | 32.84 | kPa | 360.03 | Calculated Property |
| Pvap | 54.35 | kPa | 373.67 | Calculated Property |
| Pvap | 86.86 | kPa | 387.30 | Calculated Property |
| Pvap | 134.55 | kPa | 400.94 | Calculated Property |
| Pvap | 202.63 | kPa | 414.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-iodo-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.