- InChI
- InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
- InChI Key
- KKEYFWRCBNTPAC-UHFFFAOYSA-N
- Formula
- C8H6O4
- SMILES
- O=C(O)c1ccc(C(=O)O)cc1
- Molecular Weight1
- 166.13
- CAS
- 100-21-0
- Other Names
-
- 1,4-Benzenedicarboxylic acid
- 1,4-Dicarboxybenzene
- 1,4-benzenedioic acid
- Acide terephtalique
- Benzene, 1,4-dicarboxylic acid
- Benzene, p-dicarboxylic acid
- Kyselina tereftalova
- NSC 36973
- TA 12
- TPA
- Ta-33mp
- WR 16262
- p-Benzenedicarboxylic acid
- p-Carboxybenzoic acid
- p-Dicarboxybenzene
- p-Phthalic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔcH°solid | [-3227.96; -3189.30] | kJ/mol |
|
| ΔcH°solid | -3189.30 ± 1.50 | kJ/mol | NIST |
| ΔcH°solid | -3189.50 ± 0.42 | kJ/mol | NIST |
| ΔcH°solid | -3227.96 | kJ/mol | NIST |
| ΔfG° | -412.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.01 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-816.30; -816.17] | kJ/mol |
|
| ΔfH°solid | -816.30 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -816.17 | kJ/mol | NIST |
| ΔfusH° | 21.50 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [98.11; 146.60] | kJ/mol |
|
| ΔsubH° | 146.60 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 98.11 | kJ/mol | NIST |
| ΔvapH° | 83.19 | kJ/mol | Joback Calculated Property |
| IE | 9.90 ± 0.20 | eV | NIST |
| log10WS | -1.59 | Crippen Calculated Property | |
| logPoct/wat | 1.083 | Crippen Calculated Property | |
| McVol | 114.700 | ml/mol | McGowan Calculated Property |
| Pc | 5406.57 | kPa | Joback Calculated Property |
| Tboil | 706.20 | K | Joback Calculated Property |
| Tc | 907.67 | K | Joback Calculated Property |
| Tfus | 703.10 | K | Solid-L... |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.80; 315.57] | J/mol×K | [706.20; 907.67] |
|
| Cp,gas | 282.80 | J/mol×K | 706.20 | Joback Calculated Property |
| Cp,gas | 289.37 | J/mol×K | 739.78 | Joback Calculated Property |
| Cp,gas | 295.47 | J/mol×K | 773.36 | Joback Calculated Property |
| Cp,gas | 301.12 | J/mol×K | 806.93 | Joback Calculated Property |
| Cp,gas | 306.34 | J/mol×K | 840.51 | Joback Calculated Property |
| Cp,gas | 311.15 | J/mol×K | 874.09 | Joback Calculated Property |
| Cp,gas | 315.57 | J/mol×K | 907.67 | Joback Calculated Property |
| Cp,solid | 199.60 | J/mol×K | 323.00 | NIST |
| η | [0.0000196; 0.0013822] | Pa×s | [440.36; 706.20] |
|
| η | 0.0013822 | Pa×s | 440.36 | Joback Calculated Property |
| η | 0.0004918 | Pa×s | 484.67 | Joback Calculated Property |
| η | 0.0002081 | Pa×s | 528.97 | Joback Calculated Property |
| η | 0.0001006 | Pa×s | 573.28 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 617.59 | Joback Calculated Property |
| η | 0.0000314 | Pa×s | 661.89 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 706.20 | Joback Calculated Property |
| ΔsubH | [131.00; 142.20] | kJ/mol | [471.00; 621.50] |
|
| ΔsubH | 142.20 ± 1.50 | kJ/mol | 471.00 | NIST |
| ΔsubH | 139.20 | kJ/mol | 578.00 | NIST |
| ΔsubH | 131.00 | kJ/mol | 578.00 | NIST |
| ΔsubH | 139.30 ± 3.80 | kJ/mol | 621.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [2.36; 6322.50] | kPa | [567.15; 1113.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.38606e+02 | |||
| Coefficient B | -3.45524e+04 | |||
| Coefficient C | -6.04690e+01 | |||
| Coefficient D | 2.04789e-05 | |||
| Temperature range, min. | 567.15 | |||
| Temperature range, max. | 1113.00 | |||
| Pvap | 2.36 | kPa | 567.15 | Calculated Property |
| Pvap | 8.05 | kPa | 627.80 | Calculated Property |
| Pvap | 19.94 | kPa | 688.45 | Calculated Property |
| Pvap | 41.95 | kPa | 749.10 | Calculated Property |
| Pvap | 83.06 | kPa | 809.75 | Calculated Property |
| Pvap | 166.04 | kPa | 870.40 | Calculated Property |
| Pvap | 351.58 | kPa | 931.05 | Calculated Property |
| Pvap | 815.78 | kPa | 991.70 | Calculated Property |
| Pvap | 2124.96 | kPa | 1052.35 | Calculated Property |
| Pvap | 6322.50 | kPa | 1113.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid.
Mixtures
- 2-Pyrrolidinone, 1-methyl- + Terephthalic acid
- Isophthalic acid + Formamide, N,N-dimethyl- + Terephthalic acid
- Acetic acid + Terephthalic acid
- Acetic acid + Terephthalic acid + Water
- Terephthalic acid + Water
- Dimethyl Sulfoxide + Terephthalic acid + Water
- Formamide, N,N-dimethyl- + Terephthalic acid + Water
- Dimethyl Sulfoxide + Terephthalic acid
- Formamide, N,N-dimethyl- + Terephthalic acid
- Isobutyl acetate + Terephthalic acid
- Isophthalic acid + 2-Pyrrolidinone, 1-methyl- + Terephthalic acid
- 2-Pyrrolidinone, 1-methyl- + 1,2-Benzenedicarboxylic acid + Terephthalic acid
- N,N-Dimethylacetamide + Terephthalic acid
- 2-Pyrrolidinone, 1-methyl- + Terephthalic acid + Water
- N,N-Dimethylacetamide + Terephthalic acid + Water
- Terephthalic acid + Tetrahydrofuran
- Terephthalic acid + Cyclohexanone
- Ethane, 1,2-diethoxy- + Terephthalic acid
- Acetophenone + Terephthalic acid
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Solubility of terephthalic acid in aqueous acetic acid from 423.15 to 513.15K
- Determination and modeling of aqueous solubility of 4-position substituted benzoic acid compounds in a high-temperature solution
- The solubilities of benzene polycarboxylic acids in water
- Thermochemistry of Cs(hydrogen phthalate) and Cs2(terephthalate)
- Solubility of 2,5-Furandicarboxylic Acid in Eight Pure Solvents and Two Binary Solvent Systems at 313.15-363.15 K
- Solid-Liquid Equilibria of Several Systems Containing Acetic Acid
- Solubilities of Terephthalic Acid in Dimethyl Sulfoxide + Water and in N,N-Dimethylformamide + Water from (301.4 to 373.7) K
- Solid-liquid Equilibria of 1,4-Benzenedicarboxylic Acid in Binary Acetic Acid + Water Solvent Mixtures at Elevated Temperatures
- 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
- Solid-Liquid Equilibria for Benzoic Acid + p-Toluic Acid + Chloroform, Benzoic Acid + p-Toluic Acid + Acetic Acid, and Terephthalic Acid + Isophthalic Acid + N,N-Dimethylformamide
- Solubilities of Benzene Carboxylic Acids in Isobutyl Acetate from (299.73 to 353.15) K
- Solubility of Terephthalic Acid in Subcritical Water
- Phase Equilibrium and Phase Diagram for the System of Benzene Dicarboxylic Acid + N-Methyl-2-pyrrolidone
- Solubility of Terephthalic Acid in Aqueous N-Methyl Pyrrolidone and N,N-Dimethyl Acetamide Solvents at (303.2 to 363.2) K
- Solubilities of Terephthalic Acid, Phthalic Acid, and Isophthalic Acid in Tetrahydrofuran, Cyclohexanone, 1,2-Diethoxyethane, and Acetophenone
- Joback Method
- McGowan Method
- NIST Webbook
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