- InChI
- InChI=1S/C5H11I/c1-4(2)5(3)6/h4-5H,1-3H3
- InChI Key
- PYXUFKGRYMMOIK-UHFFFAOYSA-N
- Formula
- C5H11I
- SMILES
- CC(C)C(C)I
- Molecular Weight1
- 198.05
- CAS
- 18295-27-7
- Other Names
-
- 2-Iodo-3-methylbutane
- Butane, 3-methyl-2-iodo
- 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.
- 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 | 0.2591 | Relay (1.0) Calculated Property | |
| ΔfG° | 44.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -71.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.466 | Crippen Calculated Property | |
| McVol | 107.130 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Inp | 941.00 | NIST | |
| Ip | 1095.00 | NIST | |
| Tboil | 415.11 | K | Relay (1.0) Calculated Property |
| Tc | 627.57 | K | Relay (1.0) Calculated Property |
| Tfus | 195.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.383 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.00; 287.53] | 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 | 6.67000e+00 | |||
| Coefficient B | 5.29660e-01 | |||
| Coefficient C | -3.36000e-04 | |||
| Coefficient D | 8.72000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 180.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 202.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 221.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 238.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 253.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 265.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 277.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 287.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0190621; 0.0002967] | Pa×s | [174.17; 433.29] |
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 | -1.09205e+01 | |||
| Coefficient B | 1.21230e+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. | 174.17 | |||
| Temperature range, max. | 433.29 | |||
| η | 0.0190621 | Pa×s | 174.17 | Calculated Property |
| η | 0.0071015 | Pa×s | 202.96 | Calculated Property |
| η | 0.0033813 | Pa×s | 231.75 | Calculated Property |
| η | 0.0018969 | Pa×s | 260.54 | Calculated Property |
| η | 0.0011939 | Pa×s | 289.34 | Calculated Property |
| η | 0.0008171 | Pa×s | 318.13 | Calculated Property |
| η | 0.0005956 | Pa×s | 346.92 | Calculated Property |
| η | 0.0004556 | Pa×s | 375.71 | Calculated Property |
| η | 0.0003621 | Pa×s | 404.50 | Calculated Property |
| η | 0.0002967 | Pa×s | 433.29 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [305.52; 458.86] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.34862e+01 | |||
| Coefficient B | -3.29325e+03 | |||
| Coefficient C | -5.60060e+01 | |||
| Temperature range, min. | 305.52 | |||
| Temperature range, max. | 458.86 | |||
| Pvap | 1.33 | kPa | 305.52 | Calculated Property |
| Pvap | 3.10 | kPa | 322.56 | Calculated Property |
| Pvap | 6.51 | kPa | 339.60 | Calculated Property |
| Pvap | 12.57 | kPa | 356.63 | Calculated Property |
| Pvap | 22.63 | kPa | 373.67 | Calculated Property |
| Pvap | 38.36 | kPa | 390.71 | Calculated Property |
| Pvap | 61.78 | kPa | 407.75 | Calculated Property |
| Pvap | 95.21 | kPa | 424.78 | Calculated Property |
| Pvap | 141.24 | kPa | 441.82 | Calculated Property |
| Pvap | 202.64 | kPa | 458.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-iodo-3-methyl-.
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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