- InChI
- InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3
- InChI Key
- KMGBZBJJOKUPIA-UHFFFAOYSA-N
- Formula
- C4H9I
- SMILES
- CCCCI
- Molecular Weight1
- 184.02
- CAS
- 542-69-8
- Other Names
-
- 1-Iodobutane
- 1-Jodbutan
- Butyl iodide
- Iodobutane
- N-BUTYL IODIDE
- n-C4H9I
- ω : Acentric Factor.
- 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).
- ρl : Liquid Density (kg/m3).
- 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 |
|---|---|---|---|
| ω | 0.2460 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [35.40; 40.67] | kJ/mol |
|
| ΔvapH° | 40.67 | kJ/mol | NIST |
| ΔvapH° | 40.30 | kJ/mol | NIST |
| ΔvapH° | 39.70 | kJ/mol | NIST |
| ΔvapH° | 40.60 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 40.63 ± 0.04 | kJ/mol | NIST |
| ΔvapH° | Outlier 35.40 ± 0.04 | kJ/mol | NIST |
| IE | [9.21; 9.50] | eV |
|
| IE | 9.23 ± 0.01 | eV | NIST |
| IE | 9.23 | eV | NIST |
| IE | 9.23 | eV | NIST |
| IE | 9.23 | eV | NIST |
| IE | 9.24 | eV | NIST |
| IE | 9.23 | eV | NIST |
| IE | 9.23 ± 0.01 | eV | NIST |
| IE | 9.23 | eV | NIST |
| IE | 9.21 ± 0.01 | eV | NIST |
| IE | 9.23 | eV | NIST |
| IE | Outlier 9.50 | eV | NIST |
| log10WS | [-2.96; -2.96] |
|
|
| log10WS | -2.96 | Aq. Solubility Prediction | |
| log10WS | -2.96 | Estimated Solubility | |
| logPoct/wat | 2.221 | Crippen Calculated Property | |
| McVol | 93.040 | ml/mol | McGowan Calculated Property |
| Pc | 3791.65 | kPa | Joback Calculated Property |
| Inp | [797.00; 844.90] |
|
|
| Inp | 810.00 | NIST | |
| Inp | Outlier 844.90 | NIST | |
| Inp | 821.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 819.30 | NIST | |
| Inp | 806.20 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 807.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 820.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | Outlier 840.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | Outlier 840.00 | NIST | |
| Inp | 816.00 | NIST | |
| Inp | 806.20 | NIST | |
| Inp | 798.00 | NIST | |
| I | [1062.00; 1115.00] |
|
|
| I | Outlier 1111.00 | NIST | |
| I | 1069.00 | NIST | |
| I | 1065.00 | NIST | |
| I | 1067.00 | NIST | |
| I | 1062.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1066.00 | NIST | |
| I | Outlier 1115.00 | NIST | |
| I | 1065.00 | NIST | |
| I | 1065.00 | NIST | |
| I | 1062.00 | NIST | |
| I | 1065.00 | NIST | |
| Tboil | [399.00; 404.00] | K |
|
| Tboil | 403.55 | K | KDB |
| Tboil | 403.70 | K | NIST |
| Tboil | 403.70 | K | NIST |
| Tboil | 404.00 ± 2.00 | K | NIST |
| Tboil | 403.15 ± 4.00 | K | NIST |
| Tboil | 403.55 ± 0.50 | K | NIST |
| Tboil | 403.55 ± 0.40 | K | NIST |
| Tboil | Outlier 399.00 ± 4.00 | K | NIST |
| Tboil | 403.70 ± 0.50 | K | NIST |
| Tboil | 403.85 ± 0.30 | K | NIST |
| Tboil | 403.05 ± 0.50 | K | NIST |
| Tc | 600.23 | K | Relay (1.0) Calculated Property |
| Tfus | [143.15; 169.65] | K |
|
| Tfus | 143.15 | K | KDB |
| Tfus | 169.65 ± 0.30 | K | NIST |
| Vc | 0.341 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.06; 179.97] | J/mol×K | [384.06; 588.27] |
|
| Cp,gas | 137.06 | J/mol×K | 384.06 | Joback Calculated Property |
| Cp,gas | 145.19 | J/mol×K | 418.10 | Joback Calculated Property |
| Cp,gas | 152.91 | J/mol×K | 452.13 | Joback Calculated Property |
| Cp,gas | 160.23 | J/mol×K | 486.17 | Joback Calculated Property |
| Cp,gas | 167.16 | J/mol×K | 520.20 | Joback Calculated Property |
| Cp,gas | 173.74 | J/mol×K | 554.24 | Joback Calculated Property |
| Cp,gas | 179.97 | J/mol×K | 588.27 | Joback Calculated Property |
| Cp,liquid | 164.50 | J/mol×K | 298.15 | NIST |
| η | [0.0004046; 0.0059605] | Pa×s | [192.90; 384.06] |
|
| η | 0.0059605 | Pa×s | 192.90 | Joback Calculated Property |
| η | 0.0027706 | Pa×s | 224.76 | Joback Calculated Property |
| η | 0.0015577 | Pa×s | 256.62 | Joback Calculated Property |
| η | 0.0009946 | Pa×s | 288.48 | Joback Calculated Property |
| η | 0.0006943 | Pa×s | 320.34 | Joback Calculated Property |
| η | 0.0005172 | Pa×s | 352.20 | Joback Calculated Property |
| η | 0.0004046 | Pa×s | 384.06 | Joback Calculated Property |
| ΔvapH | [34.66; 39.90] | kJ/mol | [361.50; 403.70] |
|
| ΔvapH | 39.90 | kJ/mol | 361.50 | NIST |
| ΔvapH | 34.66 | kJ/mol | 403.70 | NIST |
| ρl | [1457.20; 1670.90] | kg/m3 | [253.15; 383.15] |
|
| ρl | 1670.90 | kg/m3 | 253.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1655.20 | kg/m3 | 263.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1639.10 | kg/m3 | 273.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1623.70 | kg/m3 | 283.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1607.60 | kg/m3 | 293.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1599.80 | kg/m3 | 298.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1558.70 | kg/m3 | 323.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1525.70 | kg/m3 | 343.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1492.00 | kg/m3 | 363.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
| ρl | 1457.20 | kg/m3 | 383.15 | Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [294.88; 429.64] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46268e+01 | |||
| Coefficient B | -3.58287e+03 | |||
| Coefficient C | -4.50160e+01 | |||
| Temperature range, min. | 294.88 | |||
| Temperature range, max. | 429.64 | |||
| Pvap | 1.33 | kPa | 294.88 | Calculated Property |
| Pvap | 3.00 | kPa | 309.85 | Calculated Property |
| Pvap | 6.19 | kPa | 324.83 | Calculated Property |
| Pvap | 11.85 | kPa | 339.80 | Calculated Property |
| Pvap | 21.33 | kPa | 354.77 | Calculated Property |
| Pvap | 36.36 | kPa | 369.75 | Calculated Property |
| Pvap | 59.13 | kPa | 384.72 | Calculated Property |
| Pvap | 92.30 | kPa | 399.69 | Calculated Property |
| Pvap | 138.96 | kPa | 414.67 | Calculated Property |
| Pvap | 202.66 | kPa | 429.64 | Calculated Property |
| Pvap | [1.32; 198.11] | kPa | [292.15; 431.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.36261e+01 | |||
| Coefficient B | -7.91214e+03 | |||
| Coefficient C | -1.18026e+01 | |||
| Coefficient D | 8.68183e-06 | |||
| Temperature range, min. | 292.15 | |||
| Temperature range, max. | 431.15 | |||
| Pvap | 1.32 | kPa | 292.15 | Calculated Property |
| Pvap | 3.04 | kPa | 307.59 | Calculated Property |
| Pvap | 6.34 | kPa | 323.04 | Calculated Property |
| Pvap | 12.20 | kPa | 338.48 | Calculated Property |
| Pvap | 21.93 | kPa | 353.93 | Calculated Property |
| Pvap | 37.17 | kPa | 369.37 | Calculated Property |
| Pvap | 59.91 | kPa | 384.82 | Calculated Property |
| Pvap | 92.48 | kPa | 400.26 | Calculated Property |
| Pvap | 137.55 | kPa | 415.71 | Calculated Property |
| Pvap | 198.11 | kPa | 431.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-iodo-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Density of 1-Iodopropane and 1-Iodobutane within the Temperature Range from (253.15 to 383.15) K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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