- InChI
- InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
- InChI Key
- GHICCUXQJBDNRN-UHFFFAOYSA-N
- Formula
- C7H5IO2
- SMILES
- O=C(O)c1ccc(I)cc1
- Molecular Weight1
- 248.02
- Other Names
-
- 4-Jodbenzoesaeure
- 4-iodobenzoic acid
- Benzoic acid, p-iodo-
- p-Iodobenzenecarboxylic acid
- p-iodobenzoic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Ttriple : Triple Point Temperature (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 | 0.6386 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-3154.20; -3153.00] | kJ/mol |
|
| ΔcH°solid | -3154.20 ± 1.30 | kJ/mol | NIST |
| ΔcH°solid | -3153.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | -174.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-228.00; -215.60] | kJ/mol |
|
| ΔfH°gas | -215.60 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | -228.00 ± 5.90 | kJ/mol | NIST |
| ΔfH°liquid | -316.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°solid | -314.90 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 22.09 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [99.30; 112.90] | kJ/mol |
|
| ΔsubH° | 112.90 ± 2.50 | kJ/mol | NIST |
| ΔsubH° | 99.30 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 87.90 ± 4.20 | kJ/mol | NIST |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.989 | Crippen Calculated Property | |
| McVol | 118.990 | ml/mol | McGowan Calculated Property |
| Pc | 4403.25 | kPa | Joback Calculated Property |
| Tboil | 579.21 | K | Relay (1.0) Calculated Property |
| Tc | 852.61 | K | Relay (1.0) Calculated Property |
| Tfus | 543.90 | K | Thermochemistry of halogenobenzoic acids as an access to PC-SAFT solubility modeling |
| Ttriple | 543.70 ± 0.03 | K | NIST |
| Vc | 0.399 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.51; 268.41] | J/mol×K | [630.07; 894.42] |
|
| Cp,gas | 230.51 | J/mol×K | 630.07 | Joback Calculated Property |
| Cp,gas | 238.44 | J/mol×K | 674.13 | Joback Calculated Property |
| Cp,gas | 245.63 | J/mol×K | 718.19 | Joback Calculated Property |
| Cp,gas | 252.15 | J/mol×K | 762.24 | Joback Calculated Property |
| Cp,gas | 258.07 | J/mol×K | 806.30 | Joback Calculated Property |
| Cp,gas | 263.47 | J/mol×K | 850.36 | Joback Calculated Property |
| Cp,gas | 268.41 | J/mol×K | 894.42 | Joback Calculated Property |
| η | [0.0002803; 0.0013550] | Pa×s | [426.25; 630.07] |
|
| η | 0.0013550 | Pa×s | 426.25 | Joback Calculated Property |
| η | 0.0009458 | Pa×s | 460.22 | Joback Calculated Property |
| η | 0.0006937 | Pa×s | 494.19 | Joback Calculated Property |
| η | 0.0005294 | Pa×s | 528.16 | Joback Calculated Property |
| η | 0.0004175 | Pa×s | 562.13 | Joback Calculated Property |
| η | 0.0003383 | Pa×s | 596.10 | Joback Calculated Property |
| η | 0.0002803 | Pa×s | 630.07 | Joback Calculated Property |
| ΔfusH | [33.94; 35.24] | kJ/mol | [543.80; 544.74] |
|
| ΔfusH | 35.24 | kJ/mol | 543.80 | NIST |
| ΔfusH | 35.24 | kJ/mol | 543.80 | NIST |
| ΔfusH | 33.94 | kJ/mol | 544.74 | NIST |
| ΔsubH | 111.00 ± 0.40 | kJ/mol | 371.00 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-iodo-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermochemistry of halogenobenzoic acids as an access to PC-SAFT solubility modeling
- Joback Method
- McGowan Method
- NIST Webbook
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