- InChI
- InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3
- InChI Key
- BTUGGGLMQBJCBN-UHFFFAOYSA-N
- Formula
- C4H9I
- SMILES
- CC(C)CI
- Molecular Weight1
- 184.02
- CAS
- 513-38-2
- Other Names
-
- 1-Iodo-2-methylpropane
- 1-Jod-2-methylpropan
- Isobutyl iodide
- Isobutyljodid
- Primary isobutyl iodide
- iso-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.
- 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° | [38.80; 38.86] | kJ/mol |
|
| ΔvapH° | 38.86 | kJ/mol | NIST |
| ΔvapH° | 38.80 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 38.83 ± 0.02 | kJ/mol | NIST |
| IE | [9.04; 9.40] | eV |
|
| IE | 9.18 ± 0.01 | eV | NIST |
| IE | 9.23 | eV | NIST |
| IE | 9.18 | eV | NIST |
| IE | 9.20 | eV | NIST |
| IE | 9.04 | eV | NIST |
| IE | 9.20 | eV | NIST |
| IE | 9.20 | eV | NIST |
| IE | 9.18 ± 0.01 | eV | NIST |
| IE | 9.08 | eV | NIST |
| IE | 9.18 ± 0.02 | eV | NIST |
| IE | Outlier 9.40 | eV | NIST |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 2.077 | Crippen Calculated Property | |
| McVol | 93.040 | ml/mol | McGowan Calculated Property |
| Pc | 3829.28 | kPa | Joback Calculated Property |
| Inp | [759.00; 779.00] |
|
|
| Inp | 759.00 | NIST | |
| Inp | 767.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 779.00 | NIST | |
| Tboil | [393.00; 394.20] | K |
|
| Tboil | 393.20 | K | NIST |
| Tboil | 394.20 | K | NIST |
| Tboil | 393.00 ± 2.00 | K | NIST |
| Tboil | 393.60 ± 0.50 | K | NIST |
| Tboil | 393.60 ± 0.50 | K | NIST |
| Tc | 593.02 | K | Joback Calculated Property |
| Tfus | [169.00; 169.15] | K |
|
| Tfus | 169.15 ± 0.40 | K | NIST |
| Tfus | 169.00 ± 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 | [162.30; 165.50] | J/mol×K | [298.00; 298.15] |
|
| Cp,liquid | 162.30 | J/mol×K | 298.00 | NIST |
| Cp,liquid | 165.50 | 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 | [33.54; 41.10] | kJ/mol | [324.50; 394.20] |
|
| ΔvapH | 41.10 | kJ/mol | 324.50 | NIST |
| ΔvapH | 33.54 | kJ/mol | 394.20 | NIST |
| Pvap | [0.23; 3.53] | kPa | [258.35; 303.23] |
|
| Pvap | 0.23 | kPa | 258.35 | Vapor P... |
| Pvap | 0.23 | kPa | 258.35 | Vapor P... |
| Pvap | 0.23 | kPa | 258.35 | Vapor P... |
| Pvap | 0.34 | kPa | 263.70 | Vapor P... |
| Pvap | 0.34 | kPa | 263.70 | Vapor P... |
| Pvap | 0.47 | kPa | 268.37 | Vapor P... |
| Pvap | 0.47 | kPa | 268.37 | Vapor P... |
| Pvap | 0.65 | kPa | 273.31 | Vapor P... |
| Pvap | 0.64 | kPa | 273.31 | Vapor P... |
| Pvap | 0.88 | kPa | 278.35 | Vapor P... |
| Pvap | 0.88 | kPa | 278.35 | Vapor P... |
| Pvap | 0.88 | kPa | 278.35 | Vapor P... |
| Pvap | 1.20 | kPa | 283.39 | Vapor P... |
| Pvap | 1.20 | kPa | 283.39 | Vapor P... |
| Pvap | 1.20 | kPa | 283.39 | Vapor P... |
| Pvap | 1.60 | kPa | 288.35 | Vapor P... |
| Pvap | 1.59 | kPa | 288.35 | Vapor P... |
| Pvap | 2.09 | kPa | 293.27 | Vapor P... |
| Pvap | 2.09 | kPa | 293.27 | Vapor P... |
| Pvap | 2.73 | kPa | 298.25 | Vapor P... |
| Pvap | 2.73 | kPa | 298.25 | Vapor P... |
| Pvap | 2.73 | kPa | 298.25 | Vapor P... |
| Pvap | 3.53 | kPa | 303.23 | Vapor P... |
| Pvap | 3.52 | kPa | 303.23 | Vapor P... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [292.57; 415.94] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.75134e+01 | |||
| Coefficient B | -5.16156e+03 | |||
| Coefficient C | 7.07300e+00 | |||
| Temperature range, min. | 292.57 | |||
| Temperature range, max. | 415.94 | |||
| Pvap | 1.33 | kPa | 292.57 | Calculated Property |
| Pvap | 2.83 | kPa | 306.28 | Calculated Property |
| Pvap | 5.65 | kPa | 319.99 | Calculated Property |
| Pvap | 10.66 | kPa | 333.69 | Calculated Property |
| Pvap | 19.15 | kPa | 347.40 | Calculated Property |
| Pvap | 32.93 | kPa | 361.11 | Calculated Property |
| Pvap | 54.47 | kPa | 374.82 | Calculated Property |
| Pvap | 87.00 | kPa | 388.52 | Calculated Property |
| Pvap | 134.68 | kPa | 402.23 | Calculated Property |
| Pvap | 202.66 | kPa | 415.94 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-iodo-2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Vapor Pressure of Selected Organic Iodides
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.