- InChI
- InChI=1S/C8H7IO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
- InChI Key
- INGWGCDYAJKXKP-UHFFFAOYSA-N
- Formula
- C8H7IO2
- SMILES
- Cc1ccc(I)c(C(=O)O)c1
- Molecular Weight1
- 262.04
- CAS
- 52548-14-8
- Other Names
-
- Benzoic acid, 2-iodo-5-methyl-
- 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° | -97.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 2.298 | Crippen Calculated Property | |
| McVol | 133.080 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Tboil | 658.27 | K | Joback Calculated Property |
| Tc | 892.83 | K | Joback Calculated Property |
| Tfus | 400.19 | K | Joback Calculated Property |
| Vc | 0.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.40; 311.38] | J/mol×K | [658.27; 892.83] | 
|
| Cp,gas | 271.40 | J/mol×K | 658.27 | Joback Calculated Property |
| Cp,gas | 279.41 | J/mol×K | 697.36 | Joback Calculated Property |
| Cp,gas | 286.83 | J/mol×K | 736.46 | Joback Calculated Property |
| Cp,gas | 293.70 | J/mol×K | 775.55 | Joback Calculated Property |
| Cp,gas | 300.06 | J/mol×K | 814.65 | Joback Calculated Property |
| Cp,gas | 305.94 | J/mol×K | 853.74 | Joback Calculated Property |
| Cp,gas | 311.38 | J/mol×K | 892.83 | Joback Calculated Property |
| η | [0.0000899; 0.0023161] | Pa×s | [400.19; 658.27] |
|
| η | 0.0023161 | Pa×s | 400.19 | Joback Calculated Property |
| η | 0.0010364 | Pa×s | 443.20 | Joback Calculated Property |
| η | 0.0005347 | Pa×s | 486.22 | Joback Calculated Property |
| η | 0.0003072 | Pa×s | 529.23 | Joback Calculated Property |
| η | 0.0001918 | Pa×s | 572.24 | Joback Calculated Property |
| η | 0.0001279 | Pa×s | 615.26 | Joback Calculated Property |
| η | 0.0000899 | Pa×s | 658.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Iodo-5-methylbenzoic acid.
Sources
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