- 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
- Other Names
-
- 4-carboxybenzaldehyde
- 4-formylbenzoic acid
- Benzoic acid, 4-formyl-
- Terephthaldehydic acid
- p-Carboxybenzaldehyde
- p-Formylbenzoic acid
- terephthaladehydic acid
- 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).
- ΔfusH : Enthalpy of fusion 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).
- 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 | 0.7163 | Relay (1.0) Calculated Property | |
| ΔfG° | -324.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.197 | Crippen Calculated Property | |
| McVol | 108.830 | ml/mol | McGowan Calculated Property |
| Pc | 4403.25 | kPa | Joback Calculated Property |
| Tboil | 563.20 | K | Relay (1.0) Calculated Property |
| Tc | 841.56 | K | Relay (1.0) Calculated Property |
| Tfus | 519.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.395 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 21.30 | kJ/mol | 452.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.02; 312.05] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.99000e+00 | |||
| Coefficient B | 6.50700e-01 | |||
| Coefficient C | -4.41160e-04 | |||
| Coefficient D | 1.10500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 171.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 200.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 225.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 246.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 264.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 279.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 292.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 303.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 312.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005011; 0.0003186] | Pa×s | [519.15; 588.03] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.14655e+01 | |||
| Coefficient B | 2.00745e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 519.15 | |||
| Temperature range, max. | 588.03 | |||
| η | 0.0005011 | Pa×s | 519.15 | Calculated Property |
| η | 0.0004737 | Pa×s | 526.80 | Calculated Property |
| η | 0.0004486 | Pa×s | 534.46 | Calculated Property |
| η | 0.0004254 | Pa×s | 542.11 | Calculated Property |
| η | 0.0004040 | Pa×s | 549.76 | Calculated Property |
| η | 0.0003843 | Pa×s | 557.42 | Calculated Property |
| η | 0.0003660 | Pa×s | 565.07 | Calculated Property |
| η | 0.0003490 | Pa×s | 572.73 | Calculated Property |
| η | 0.0003333 | Pa×s | 580.38 | Calculated Property |
| η | 0.0003186 | Pa×s | 588.03 | Calculated Property |
Similar Compounds
Find more compounds similar to TEREPHTHALALDEHYDIC ACID.
Mixtures
- TEREPHTHALALDEHYDIC ACID + Water
- TEREPHTHALALDEHYDIC ACID + Acetic acid
- TEREPHTHALALDEHYDIC ACID + Acetic acid + Water
- TEREPHTHALALDEHYDIC ACID + 2-Pyrrolidinone, 1-methyl- + Water
- TEREPHTHALALDEHYDIC ACID + Methyl Alcohol + Water
- TEREPHTHALALDEHYDIC ACID + Ethanol + Water
- TEREPHTHALALDEHYDIC ACID + 2-Propanol + Water
- TEREPHTHALALDEHYDIC ACID + 2-Pyrrolidinone, 1-methyl-
- TEREPHTHALALDEHYDIC ACID + Methyl Alcohol
- TEREPHTHALALDEHYDIC ACID + Ethanol
- TEREPHTHALALDEHYDIC ACID + 2-Propanol
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- 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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