- InChI
- InChI=1S/C6H13I/c1-5(2)6(3,4)7/h5H,1-4H3
- InChI Key
- PRNFUXYRTWHXNG-UHFFFAOYSA-N
- Formula
- C6H13I
- SMILES
- CC(C)C(C)(C)I
- Molecular Weight1
- 212.07
- CAS
- 594-59-2
- Other Names
-
- 2,3-Dimethyl-2-iodobutane
- 2-Iodo-2,3-dimethylbutane
- 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).
- 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 | 0.2676 | Relay (1.0) Calculated Property | |
| ΔfG° | 58.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 4.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.856 | Crippen Calculated Property | |
| McVol | 121.220 | ml/mol | McGowan Calculated Property |
| Pc | 3124.49 | kPa | Joback Calculated Property |
| Tboil | 425.65 | K | Relay (1.0) Calculated Property |
| Tc | 653.51 | K | Relay (1.0) Calculated Property |
| Tfus | 212.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.07; 340.05] | 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 | -1.70300e+01 | |||
| Coefficient B | 7.44580e-01 | |||
| Coefficient C | -5.59000e-04 | |||
| Coefficient D | 1.71500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 184.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 215.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 241.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 264.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 284.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 300.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 315.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 328.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 340.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0181053; 0.0002992] | Pa×s | [202.86; 452.30] |
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 | -1.14511e+01 | |||
| Coefficient B | 1.50918e+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. | 202.86 | |||
| Temperature range, max. | 452.30 | |||
| η | 0.0181053 | Pa×s | 202.86 | Calculated Property |
| η | 0.0074035 | Pa×s | 230.58 | Calculated Property |
| η | 0.0036679 | Pa×s | 258.29 | Calculated Property |
| η | 0.0020821 | Pa×s | 286.01 | Calculated Property |
| η | 0.0013063 | Pa×s | 313.72 | Calculated Property |
| η | 0.0008840 | Pa×s | 341.44 | Calculated Property |
| η | 0.0006344 | Pa×s | 369.16 | Calculated Property |
| η | 0.0004768 | Pa×s | 396.87 | Calculated Property |
| η | 0.0003720 | Pa×s | 424.59 | Calculated Property |
| η | 0.0002992 | Pa×s | 452.30 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [323.92; 479.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37723e+01 | |||
| Coefficient B | -3.52652e+03 | |||
| Coefficient C | -6.24000e+01 | |||
| Temperature range, min. | 323.92 | |||
| Temperature range, max. | 479.21 | |||
| Pvap | 1.33 | kPa | 323.92 | Calculated Property |
| Pvap | 3.07 | kPa | 341.17 | Calculated Property |
| Pvap | 6.42 | kPa | 358.43 | Calculated Property |
| Pvap | 12.37 | kPa | 375.68 | Calculated Property |
| Pvap | 22.27 | kPa | 392.94 | Calculated Property |
| Pvap | 37.81 | kPa | 410.19 | Calculated Property |
| Pvap | 61.06 | kPa | 427.45 | Calculated Property |
| Pvap | 94.43 | kPa | 444.70 | Calculated Property |
| Pvap | 140.64 | kPa | 461.96 | Calculated Property |
| Pvap | 202.66 | kPa | 479.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 2-iodo-2,3-dimethyl-.
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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