- InChI
- InChI=1S/C5H11I/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m1/s1
- InChI Key
- RHBHXHXNWHTGSO-RXMQYKEDSA-N
- Formula
- C5H11I
- SMILES
- CCC(C)CI
- Molecular Weight1
- 198.05
- CAS
- 29394-58-9
- 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).
- 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 | 0.2572 | Relay (1.0) Calculated Property | |
| ΔfG° | 46.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -94.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.468 | Crippen Calculated Property | |
| McVol | 107.130 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Tboil | 421.20 | K | NIST |
| Tc | 631.85 | K | Relay (1.0) Calculated Property |
| Tfus | 168.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.31; 286.99] | 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 | 8.35200e+00 | |||
| Coefficient B | 5.23740e-01 | |||
| Coefficient C | -3.32800e-04 | |||
| Coefficient D | 8.77000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 128.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 155.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 180.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 201.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 220.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 237.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 252.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 265.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 276.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 286.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0102765; 0.0003175] | Pa×s | [189.17; 429.97] |
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 | -1.07865e+01 | |||
| Coefficient B | 1.17448e+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. | 189.17 | |||
| Temperature range, max. | 429.97 | |||
| η | 0.0102765 | Pa×s | 189.17 | Calculated Property |
| η | 0.0047614 | Pa×s | 215.93 | Calculated Property |
| η | 0.0026140 | Pa×s | 242.68 | Calculated Property |
| η | 0.0016166 | Pa×s | 269.44 | Calculated Property |
| η | 0.0010904 | Pa×s | 296.19 | Calculated Property |
| η | 0.0007851 | Pa×s | 322.95 | Calculated Property |
| η | 0.0005944 | Pa×s | 349.70 | Calculated Property |
| η | 0.0004682 | Pa×s | 376.46 | Calculated Property |
| η | 0.0003806 | Pa×s | 403.21 | Calculated Property |
| η | 0.0003175 | Pa×s | 429.97 | Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(+)-1-Iodo-2-methylbutane.
Sources
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