- InChI
- InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
- InChI Key
- GOUHYARYYWKXHS-UHFFFAOYSA-N
- Formula
- C8H6O3
- SMILES
- O=Cc1ccc(C(=O)O)cc1
- Molecular Weight1
- 150.13
- CAS
- 619-66-9
- Other Names
-
- 4-carboxybenzaldehyde
- 4-formylbenzoic acid
- Terephthaldehydic acid
- p-Carboxybenzaldehyde
- p-Formylbenzoic acid
- terephthaladehydic acid
- terephthalaldehydic acid
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -246.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.197 | Crippen Calculated Property | |
| McVol | 108.830 | ml/mol | McGowan Calculated Property |
| Pc | 4815.84 | kPa | Joback Calculated Property |
| Tboil | 608.81 | K | Joback Calculated Property |
| Tc | 819.05 | K | Joback Calculated Property |
| Tfus | 371.61 | K | Joback Calculated Property |
| Vc | 0.417 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.78; 286.98] | J/mol×K | [608.81; 819.05] | 
|
| Cp,gas | 246.78 | J/mol×K | 608.81 | Joback Calculated Property |
| Cp,gas | 254.76 | J/mol×K | 643.85 | Joback Calculated Property |
| Cp,gas | 262.19 | J/mol×K | 678.89 | Joback Calculated Property |
| Cp,gas | 269.11 | J/mol×K | 713.93 | Joback Calculated Property |
| Cp,gas | 275.53 | J/mol×K | 748.97 | Joback Calculated Property |
| Cp,gas | 281.48 | J/mol×K | 784.01 | Joback Calculated Property |
| Cp,gas | 286.98 | J/mol×K | 819.05 | Joback Calculated Property |
| η | [0.0001196; 0.0034418] | Pa×s | [371.61; 608.81] |
|
| η | 0.0034418 | Pa×s | 371.61 | Joback Calculated Property |
| η | 0.0015021 | Pa×s | 411.14 | Joback Calculated Property |
| η | 0.0007582 | Pa×s | 450.68 | Joback Calculated Property |
| η | 0.0004273 | Pa×s | 490.21 | Joback Calculated Property |
| η | 0.0002624 | Pa×s | 529.74 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 569.28 | Joback Calculated Property |
| η | 0.0001196 | Pa×s | 608.81 | Joback Calculated Property |
| ΔfusH | 21.30 | kJ/mol | 452.20 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-formyl-.
Mixtures
- Benzoic acid, 4-formyl- + 2-Pyrrolidinone, 1-methyl-
- Benzoic acid, 4-formyl- + Water
- Benzoic acid, 4-formyl- + 2-Pyrrolidinone, 1-methyl- + Water
- Benzoic acid, 4-formyl- + Methyl Alcohol + Water
- Benzoic acid, 4-formyl- + Ethanol + Water
- Benzoic acid, 4-formyl- + Isopropyl Alcohol + Water
- Benzoic acid, 4-formyl- + Methyl Alcohol
- Benzoic acid, 4-formyl- + Ethanol
- Benzoic acid, 4-formyl- + Isopropyl Alcohol
- Benzoic acid, 4-formyl- + Acetic acid
- Benzoic acid, 4-formyl- + Acetic acid + Water
Sources
- Crippen Method
- Crippen Method
- Determination and modeling of aqueous solubility of 4-position substituted benzoic acid compounds in a high-temperature solution
- Solubility Determination, Modeling, and Preferential Solvation of Terephthalaldehydic Acid Dissolvend in Aqueous Solvent Mixtures of Methanol, Ethanol, Isopropanol, and N-Methyl-2-pyrrolidone
- Solid-Liquid Equilibria of Several Systems Containing Acetic Acid
- Solubilities of 4-Carboxybenzaldehyde and 1,4-Benzenedicarboxylic Acid in N-Methyl-2-pyrrolidone in the Temperature Range from (343.2 to 468.2) K
- Solubilities of 4-Formylbenzoic Acid in Ethanoic Acid, Water, and Ethanoic Acid/Water Mixtures with Different Compositions from (303.2 to 473.2) K
- Joback Method
- McGowan Method
- NIST Webbook
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