- InChI
- InChI=1S/C7H7IO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
- InChI Key
- WSBDSSKIWDFOBQ-UHFFFAOYSA-N
- Formula
- C7H7IO
- SMILES
- Cc1cc(I)ccc1O
- Molecular Weight1
- 234.03
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 14.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.64 | Crippen 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 | [1430.00; 1430.00] |
|
|
| Inp | 1430.00 | NIST | |
| Inp | 1430.00 | NIST | |
| Tboil | 564.98 | K | Joback Calculated Property |
| Tc | 831.06 | K | Joback Calculated Property |
| Tfus | 377.37 | K | Joback Calculated Property |
| Vc | 0.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.73; 267.33] | J/mol×K | [564.98; 831.06] |
|
| Cp,gas | 222.73 | J/mol×K | 564.98 | Joback Calculated Property |
| Cp,gas | 231.80 | J/mol×K | 609.33 | Joback Calculated Property |
| Cp,gas | 240.04 | J/mol×K | 653.67 | Joback Calculated Property |
| Cp,gas | 247.59 | J/mol×K | 698.02 | Joback Calculated Property |
| Cp,gas | 254.56 | J/mol×K | 742.37 | Joback Calculated Property |
| Cp,gas | 261.10 | J/mol×K | 786.71 | Joback Calculated Property |
| Cp,gas | 267.33 | J/mol×K | 831.06 | Joback Calculated Property |
| η | [0.0000669; 0.0019284] | Pa×s | [377.37; 564.98] |
|
| η | 0.0019284 | Pa×s | 377.37 | Joback Calculated Property |
| η | 0.0008888 | Pa×s | 408.64 | Joback Calculated Property |
| η | 0.0004574 | Pa×s | 439.91 | Joback Calculated Property |
| η | 0.0002570 | Pa×s | 471.18 | Joback Calculated Property |
| η | 0.0001552 | Pa×s | 502.44 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 533.71 | Joback Calculated Property |
| η | 0.0000669 | Pa×s | 564.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-methyl-4-iodo.
Sources
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