- InChI
- InChI=1S/C8H9I/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key
- HOVGFTKZAOQJEF-UHFFFAOYSA-N
- Formula
- C8H9I
- SMILES
- CC(I)c1ccccc1
- Molecular Weight1
- 232.06
- Other Names
-
- 1-iodo-1-phenylethane
- (1-Iodoethyl)benzene
- 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).
- Inp : Non-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 | 0.2919 | Relay (1.0) Calculated Property | |
| ΔfG° | 184.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 128.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.90 ± 0.40 | kJ/mol | NIST |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.183 | Crippen Calculated Property | |
| McVol | 125.640 | ml/mol | McGowan Calculated Property |
| Pc | 3589.94 | kPa | Joback Calculated Property |
| Inp | [1222.00; 1222.00] |
|
|
| Inp | 1222.00 | NIST | |
| Inp | 1222.00 | NIST | |
| Tboil | 495.53 | K | Relay (1.0) Calculated Property |
| Tc | 750.09 | K | Relay (1.0) Calculated Property |
| Tfus | 253.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.70; 323.24] | 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 | -2.82800e+01 | |||
| Coefficient B | 7.29820e-01 | |||
| Coefficient C | -5.27200e-04 | |||
| Coefficient D | 1.48900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 134.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 170.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 201.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 228.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 250.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 270.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 286.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 300.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 312.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 323.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058981; 0.0002511] | Pa×s | [249.40; 528.61] |
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 | -1.11090e+01 | |||
| Coefficient B | 1.49038e+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. | 249.40 | |||
| Temperature range, max. | 528.61 | |||
| η | 0.0058981 | Pa×s | 249.40 | Calculated Property |
| η | 0.0030450 | Pa×s | 280.42 | Calculated Property |
| η | 0.0017934 | Pa×s | 311.45 | Calculated Property |
| η | 0.0011625 | Pa×s | 342.47 | Calculated Property |
| η | 0.0008099 | Pa×s | 373.49 | Calculated Property |
| η | 0.0005964 | Pa×s | 404.52 | Calculated Property |
| η | 0.0004587 | Pa×s | 435.54 | Calculated Property |
| η | 0.0003654 | Pa×s | 466.57 | Calculated Property |
| η | 0.0002994 | Pa×s | 497.59 | Calculated Property |
| η | 0.0002511 | Pa×s | 528.61 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-iodoethyl)-.
Sources
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