- InChI
- InChI=1S/C7H5IO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
- InChI Key
- NMMCBIXYIYQHCP-UHFFFAOYSA-N
- Formula
- C7H5IO2
- SMILES
- Ic1ccc2c(c1)OCO2
- Molecular Weight1
- 248.02
- CAS
- 5876-51-7
- 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).
- 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° | 55.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -68.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 2.020 | Crippen Calculated Property | |
| McVol | 112.430 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Tboil | 554.65 | K | Joback Calculated Property |
| Tc | 823.57 | K | Joback Calculated Property |
| Tfus | 353.49 | K | Joback Calculated Property |
| Vc | 0.407 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.55; 257.31] | J/mol×K | [554.65; 823.57] | 
|
| Cp,gas | 213.55 | J/mol×K | 554.65 | Joback Calculated Property |
| Cp,gas | 222.78 | J/mol×K | 599.47 | Joback Calculated Property |
| Cp,gas | 231.08 | J/mol×K | 644.29 | Joback Calculated Property |
| Cp,gas | 238.59 | J/mol×K | 689.11 | Joback Calculated Property |
| Cp,gas | 245.39 | J/mol×K | 733.93 | Joback Calculated Property |
| Cp,gas | 251.59 | J/mol×K | 778.75 | Joback Calculated Property |
| Cp,gas | 257.31 | J/mol×K | 823.57 | Joback Calculated Property |
| η | [0.0006189; 0.0027158] | Pa×s | [353.49; 554.65] |
|
| η | 0.0027158 | Pa×s | 353.49 | Joback Calculated Property |
| η | 0.0019076 | Pa×s | 387.02 | Joback Calculated Property |
| η | 0.0014175 | Pa×s | 420.54 | Joback Calculated Property |
| η | 0.0011006 | Pa×s | 454.07 | Joback Calculated Property |
| η | 0.0008847 | Pa×s | 487.60 | Joback Calculated Property |
| η | 0.0007315 | Pa×s | 521.12 | Joback Calculated Property |
| η | 0.0006189 | Pa×s | 554.65 | Joback Calculated Property |
Similar Compounds
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Sources
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