- InChI
- InChI=1S/C7H7IO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
- InChI Key
- GZZUGNNHSZONTO-UHFFFAOYSA-N
- Formula
- C7H7IO
- SMILES
- Cc1cccc(I)c1O
- Molecular Weight1
- 234.04
- 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 | 0.4666 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -22.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.305 | Crippen Calculated Property | |
| McVol | 117.420 | ml/mol | McGowan Calculated Property |
| Pc | 4775.98 | kPa | Joback Calculated Property |
| Inp | [1232.00; 1232.00] |
|
|
| Inp | 1232.00 | NIST | |
| Inp | 1232.00 | NIST | |
| Tboil | 510.39 | K | Relay (1.0) Calculated Property |
| Tc | 807.98 | K | Relay (1.0) Calculated Property |
| Tfus | 344.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.380 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.24; 290.49] | 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 | -2.03100e+01 | |||
| Coefficient B | 7.24020e-01 | |||
| Coefficient C | -6.58920e-04 | |||
| Coefficient D | 2.45700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 190.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 211.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 229.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 244.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 256.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 268.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 279.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 290.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019284; 0.0000549] | Pa×s | [377.37; 581.95] |
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 | -1.63735e+01 | |||
| Coefficient B | 3.81992e+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. | 377.37 | |||
| Temperature range, max. | 581.95 | |||
| η | 0.0019284 | Pa×s | 377.37 | Calculated Property |
| η | 0.0010851 | Pa×s | 400.10 | Calculated Property |
| η | 0.0006495 | Pa×s | 422.83 | Calculated Property |
| η | 0.0004096 | Pa×s | 445.56 | Calculated Property |
| η | 0.0002702 | Pa×s | 468.29 | Calculated Property |
| η | 0.0001852 | Pa×s | 491.02 | Calculated Property |
| η | 0.0001313 | Pa×s | 513.75 | Calculated Property |
| η | 0.0000958 | Pa×s | 536.49 | Calculated Property |
| η | 0.0000717 | Pa×s | 559.22 | Calculated Property |
| η | 0.0000549 | Pa×s | 581.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-methyl-6-iodo.
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