- InChI
- InChI=1S/C8H7IO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
- InChI Key
- FJSHTWVDFAUNCO-UHFFFAOYSA-N
- Formula
- C8H7IO2
- SMILES
- O=C(O)Cc1ccc(I)cc1
- Molecular Weight1
- 262.04
- CAS
- 1798-06-7
- Other Names
-
- Benzeneacetic acid, 4-iodo-
- 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).
- 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 | 0.6554 | Relay (1.0) Calculated Property | |
| ΔfG° | -88.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.918 | Crippen Calculated Property | |
| McVol | 133.080 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Tboil | 589.14 | K | Relay (1.0) Calculated Property |
| Tc | 843.35 | K | Relay (1.0) Calculated Property |
| Tfus | 432.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.439 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.22; 313.68] | J/mol×K | [653.29; 886.96] | 
|
| Cp,gas | 273.22 | J/mol×K | 653.29 | Joback Calculated Property |
| Cp,gas | 281.40 | J/mol×K | 692.24 | Joback Calculated Property |
| Cp,gas | 288.94 | J/mol×K | 731.18 | Joback Calculated Property |
| Cp,gas | 295.90 | J/mol×K | 770.13 | Joback Calculated Property |
| Cp,gas | 302.31 | J/mol×K | 809.07 | Joback Calculated Property |
| Cp,gas | 308.22 | J/mol×K | 848.02 | Joback Calculated Property |
| Cp,gas | 313.68 | J/mol×K | 886.96 | Joback Calculated Property |
| η | [0.0000920; 0.0031447] | Pa×s | [387.67; 653.29] |
|
| η | 0.0031447 | Pa×s | 387.67 | Joback Calculated Property |
| η | 0.0012911 | Pa×s | 431.94 | Joback Calculated Property |
| η | 0.0006255 | Pa×s | 476.21 | Joback Calculated Property |
| η | 0.0003428 | Pa×s | 520.48 | Joback Calculated Property |
| η | 0.0002065 | Pa×s | 564.75 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 609.02 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 653.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Iodophenylacetic acid.
Sources
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