- InChI
- InChI=1S/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key
- KVTHPKXDLVYNCH-UHFFFAOYSA-N
- Formula
- C8H9I
- SMILES
- ICCc1ccccc1
- Molecular Weight1
- 232.06
- CAS
- 17376-04-4
- Other Names
-
- (2-Iodoethyl)benzene
- 2-Phenylethyl iodide
- Phenethyl iodide
- «beta»-Phenethyl iodide
- «beta»-Phenylethyl iodide
- «beta»-Phenethyl iodide
- «beta»-Phenylethyl iodide
- 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 | 0.3480 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 132.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.664 | Crippen Calculated Property | |
| McVol | 125.640 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Tboil | 509.73 | K | Relay (1.0) Calculated Property |
| Tc | 756.26 | K | Relay (1.0) Calculated Property |
| Tfus | 244.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.73; 284.45] | J/mol×K | [502.26; 749.17] | 
|
| Cp,gas | 223.73 | J/mol×K | 502.26 | Joback Calculated Property |
| Cp,gas | 236.02 | J/mol×K | 543.41 | Joback Calculated Property |
| Cp,gas | 247.35 | J/mol×K | 584.56 | Joback Calculated Property |
| Cp,gas | 257.80 | J/mol×K | 625.71 | Joback Calculated Property |
| Cp,gas | 267.42 | J/mol×K | 666.87 | Joback Calculated Property |
| Cp,gas | 276.29 | J/mol×K | 708.02 | Joback Calculated Property |
| Cp,gas | 284.45 | J/mol×K | 749.17 | Joback Calculated Property |
| η | [0.0003088; 0.0041644] | Pa×s | [264.40; 502.26] |
|
| η | 0.0041644 | Pa×s | 264.40 | Joback Calculated Property |
| η | 0.0020345 | Pa×s | 304.04 | Joback Calculated Property |
| η | 0.0011725 | Pa×s | 343.69 | Joback Calculated Property |
| η | 0.0007574 | Pa×s | 383.33 | Joback Calculated Property |
| η | 0.0005310 | Pa×s | 422.97 | Joback Calculated Property |
| η | 0.0003956 | Pa×s | 462.62 | Joback Calculated Property |
| η | 0.0003088 | Pa×s | 502.26 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [366.87; 540.46] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36109e+01 | |||
| Coefficient B | -3.82067e+03 | |||
| Coefficient C | -8.01050e+01 | |||
| Temperature range, min. | 366.87 | |||
| Temperature range, max. | 540.46 | |||
| Pvap | 1.33 | kPa | 366.87 | Calculated Property |
| Pvap | 3.09 | kPa | 386.16 | Calculated Property |
| Pvap | 6.47 | kPa | 405.45 | Calculated Property |
| Pvap | 12.49 | kPa | 424.73 | Calculated Property |
| Pvap | 22.47 | kPa | 444.02 | Calculated Property |
| Pvap | 38.11 | kPa | 463.31 | Calculated Property |
| Pvap | 61.46 | kPa | 482.60 | Calculated Property |
| Pvap | 94.87 | kPa | 501.88 | Calculated Property |
| Pvap | 140.98 | kPa | 521.17 | Calculated Property |
| Pvap | 202.66 | kPa | 540.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-iodoethyl)-.
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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