- InChI
- InChI=1S/C8H9I/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
- InChI Key
- DANMWBNOPFBJSZ-UHFFFAOYSA-N
- Formula
- C8H9I
- SMILES
- Cc1cccc(I)c1C
- Molecular Weight1
- 232.06
- Other Names
-
- 1,2-dimethyl-3-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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3143 | Relay (1.0) Calculated Property | |
| ΔfG° | 167.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 113.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.908 | Crippen Calculated Property | |
| McVol | 125.640 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Tboil | 502.20 | K | NIST |
| Tc | 755.25 | K | Relay (1.0) Calculated Property |
| Tfus | 295.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.438 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 398.70 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.11; 316.62] | 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 | 2.00000e+00 | |||
| Coefficient B | 6.04940e-01 | |||
| Coefficient C | -3.89920e-04 | |||
| Coefficient D | 9.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 140.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 171.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 199.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 223.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 245.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 263.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 279.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 293.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 305.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 316.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021926; 0.0002596] | Pa×s | [289.44; 533.45] |
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 | -1.07870e+01 | |||
| Coefficient B | 1.35004e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 289.44 | |||
| Temperature range, max. | 533.45 | |||
| η | 0.0021926 | Pa×s | 289.44 | Calculated Property |
| η | 0.0014705 | Pa×s | 316.55 | Calculated Property |
| η | 0.0010504 | Pa×s | 343.66 | Calculated Property |
| η | 0.0007881 | Pa×s | 370.78 | Calculated Property |
| η | 0.0006149 | Pa×s | 397.89 | Calculated Property |
| η | 0.0004953 | Pa×s | 425.00 | Calculated Property |
| η | 0.0004094 | Pa×s | 452.11 | Calculated Property |
| η | 0.0003457 | Pa×s | 479.22 | Calculated Property |
| η | 0.0002973 | Pa×s | 506.34 | Calculated Property |
| η | 0.0002596 | Pa×s | 533.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-iodo-2,3-dimethyl-.
Sources
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