- InChI
- InChI=1S/C5H11I/c1-4-5(2,3)6/h4H2,1-3H3
- InChI Key
- NWRZTQFWFPLHHX-UHFFFAOYSA-N
- Formula
- C5H11I
- SMILES
- CCC(C)(C)I
- Molecular Weight1
- 198.05
- CAS
- 594-38-7
- Other Names
-
- Butane, 2-iodo-2-methyl
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.2417 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.93; 8.93] | eV |
|
| IE | 8.93 | eV | NIST |
| IE | 8.93 ± 0.01 | eV | NIST |
| log10WS | -3.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.610 | Crippen Calculated Property | |
| McVol | 107.130 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Inp | [829.00; 829.00] |
|
|
| Inp | 829.00 | NIST | |
| Inp | 829.00 | NIST | |
| Ip | [1092.00; 1092.00] |
|
|
| Ip | 1092.00 | NIST | |
| Ip | 1092.00 | NIST | |
| Tboil | 397.70 | K | NIST |
| Tc | 631.28 | K | Relay (1.0) Calculated Property |
| Tfus | 181.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.391 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 40.40 | kJ/mol | 353.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.17; 287.92] | 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 | -1.44390e+01 | |||
| Coefficient B | 6.43660e-01 | |||
| Coefficient C | -5.01400e-04 | |||
| Coefficient D | 1.60100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 127.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 157.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 183.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 206.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 225.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 241.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 255.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 267.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 277.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 287.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0108874; 0.0003295] | Pa×s | [206.59; 434.64] |
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 | -1.11865e+01 | |||
| Coefficient B | 1.37720e+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. | 206.59 | |||
| Temperature range, max. | 434.64 | |||
| η | 0.0108874 | Pa×s | 206.59 | Calculated Property |
| η | 0.0052555 | Pa×s | 231.93 | Calculated Property |
| η | 0.0029283 | Pa×s | 257.27 | Calculated Property |
| η | 0.0018120 | Pa×s | 282.61 | Calculated Property |
| η | 0.0012134 | Pa×s | 307.95 | Calculated Property |
| η | 0.0008637 | Pa×s | 333.29 | Calculated Property |
| η | 0.0006450 | Pa×s | 358.62 | Calculated Property |
| η | 0.0005006 | Pa×s | 383.96 | Calculated Property |
| η | 0.0004009 | Pa×s | 409.30 | Calculated Property |
| η | 0.0003295 | Pa×s | 434.64 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Iodo-2-methylbutane.
Sources
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