- InChI
- InChI=1S/C8H9I/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
- InChI Key
- ZEJZDNMOGNUIHL-UHFFFAOYSA-N
- Formula
- C8H9I
- SMILES
- CCc1ccccc1I
- Molecular Weight1
- 232.06
- CAS
- 18282-40-1
- Other Names
-
- 1-ethyl-2-iodobenzene
- 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 | 0.3097 | Relay (1.0) Calculated Property | |
| ΔfG° | 177.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 114.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.854 | Crippen Calculated Property | |
| McVol | 125.640 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Tboil | 503.38 | K | Relay (1.0) Calculated Property |
| Tc | 736.34 | K | Relay (1.0) Calculated Property |
| Tfus | 215.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [137.56; 319.66] | 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 | -1.22990e+01 | |||
| Coefficient B | 6.64420e-01 | |||
| Coefficient C | -4.56960e-04 | |||
| Coefficient D | 1.24500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 137.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 171.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 200.35 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 225.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 247.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 266.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 282.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 296.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 309.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 319.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029656; 0.0002659] | Pa×s | [276.92; 529.04] |
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 | -1.08810e+01 | |||
| Coefficient B | 1.40130e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 276.92 | |||
| Temperature range, max. | 529.04 | |||
| η | 0.0029656 | Pa×s | 276.92 | Calculated Property |
| η | 0.0018630 | Pa×s | 304.93 | Calculated Property |
| η | 0.0012656 | Pa×s | 332.95 | Calculated Property |
| η | 0.0009129 | Pa×s | 360.96 | Calculated Property |
| η | 0.0006903 | Pa×s | 388.97 | Calculated Property |
| η | 0.0005419 | Pa×s | 416.99 | Calculated Property |
| η | 0.0004386 | Pa×s | 445.00 | Calculated Property |
| η | 0.0003639 | Pa×s | 473.02 | Calculated Property |
| η | 0.0003084 | Pa×s | 501.03 | Calculated Property |
| η | 0.0002659 | Pa×s | 529.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-ethyl-2-iodo-.
Sources
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