- 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-Dicarboxybenzene
- 1,4-benzenedicarboxylic acid
- 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
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- λgas : Gas thermal conductivity (W/m×K).
- Tfus : Normal melting (fusion) point (K).
- UQi : UNIQUAC Qi Parameter.
- URi : UNIQUAC Ri Parameter.
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- Zra : Rackett Parameter.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.1603 | ChemSep v8.3 pure component data Compiled value | |
| 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° | -599.00 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| ΔfH°gas | -717.90 | kJ/mol | ChemSep v8.3 pure component data Compiled value |
| 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° | 30.41 | 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° | 119.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 ± 0.20 | eV | NIST |
| log10WS | -2.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.083 | Crippen Calculated Property | |
| McVol | 114.700 | ml/mol | McGowan Calculated Property |
| Pc | 4492.23 | kPa | ChemSep v8.3 pure component data Compiled value |
| Tboil | 665.55 | K | ChemSep v8.3 pure component data Compiled value |
| Tc | 943.06 | K | ChemSep v8.3 pure component data Compiled value |
| Tfus | [573.15; 703.10] | K |
|
| Tfus | 703.10 | 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 |
| Tfus | 573.15 | K | ChemSep v8.3 pure component data Compiled value |
| UQi | 4.29 | ChemSep v8.3 pure component data Compiled value | |
| URi | 5.46 | ChemSep v8.3 pure component data Compiled value | |
| Vc | 0.423 | m3/kmol | ChemSep v8.3 pure component data Compiled value |
| Zc | 0.2426270 | ChemSep v8.3 pure component data Compiled value | |
| Zra | 0.21 | ChemSep v8.3 pure component data Compiled value |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 199.60 | J/mol×K | 323.00 | NIST |
| 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 |
|---|---|---|---|---|
| Cp,gas | [115.94; 344.72] | J/mol×K | [273.00; 1500.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.30700e+01 | |||
| Coefficient B | -8.52740e+02 | |||
| Coefficient C | 6.78124e+00 | |||
| Coefficient D | -6.43000e-04 | |||
| Coefficient E | 1.41670e-07 | |||
| Comment | ChemSep eq 16, IdealGasHeatCapacityCp | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1500.00 | |||
| Cp,gas | 115.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.43 | J/mol×K | 409.33 | Calculated Property |
| Cp,gas | 218.68 | J/mol×K | 545.67 | Calculated Property |
| Cp,gas | 256.93 | J/mol×K | 682.00 | Calculated Property |
| Cp,gas | 284.99 | J/mol×K | 818.33 | Calculated Property |
| Cp,gas | 305.20 | J/mol×K | 954.67 | Calculated Property |
| Cp,gas | 319.76 | J/mol×K | 1091.00 | Calculated Property |
| Cp,gas | 330.39 | J/mol×K | 1227.33 | Calculated Property |
| Cp,gas | 338.39 | J/mol×K | 1363.67 | Calculated Property |
| Cp,gas | 344.72 | J/mol×K | 1500.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002801; 0.0002447] | Pa×s | [638.12; 660.15] |
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 | -1.22292e+01 | |||
| Coefficient B | 2.58376e+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. | 638.12 | |||
| Temperature range, max. | 660.15 | |||
| η | 0.0002801 | Pa×s | 638.12 | Calculated Property |
| η | 0.0002758 | Pa×s | 640.57 | Calculated Property |
| η | 0.0002716 | Pa×s | 643.02 | Calculated Property |
| η | 0.0002675 | Pa×s | 645.47 | Calculated Property |
| η | 0.0002635 | Pa×s | 647.91 | Calculated Property |
| η | 0.0002596 | Pa×s | 650.36 | Calculated Property |
| η | 0.0002558 | Pa×s | 652.81 | Calculated Property |
| η | 0.0002520 | Pa×s | 655.25 | Calculated Property |
| η | 0.0002483 | Pa×s | 657.70 | Calculated Property |
| η | 0.0002447 | Pa×s | 660.15 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [87.93; 87.81] | kJ/mol | [298.15; 307.65] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K | |||
| Coefficient A | 8.98020e+01 | |||
| Coefficient B | 1.89000e-01 | |||
| Coefficient C | -5.03050e-01 | |||
| Coefficient D | -1.10740e+00 | |||
| Coefficient E | 4.31100e+00 | |||
| Critical temperature, Tc (K) | 9.43065e+02 | |||
| Comment | ChemSep eq 106, HeatOfVaporization | |||
| Temperature range, min. | 298.15 | |||
| Temperature range, max. | 307.65 | |||
| ΔvapH | 87.93 | kJ/mol | 298.15 | Calculated Property |
| ΔvapH | 87.92 | kJ/mol | 299.21 | Calculated Property |
| ΔvapH | 87.90 | kJ/mol | 300.26 | Calculated Property |
| ΔvapH | 87.89 | kJ/mol | 301.32 | Calculated Property |
| ΔvapH | 87.88 | kJ/mol | 302.37 | Calculated Property |
| ΔvapH | 87.87 | kJ/mol | 303.43 | Calculated Property |
| ΔvapH | 87.85 | kJ/mol | 304.48 | Calculated Property |
| ΔvapH | 87.84 | kJ/mol | 305.54 | Calculated Property |
| ΔvapH | 87.83 | kJ/mol | 306.59 | Calculated Property |
| ΔvapH | 87.81 | kJ/mol | 307.65 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [4.60; 3917.05] | kPa | [700.15; 1113.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.08950e+02 | |||
| Coefficient B | -2.95866e+04 | |||
| Coefficient C | -2.55003e+01 | |||
| Coefficient D | 3.86337e-06 | |||
| Coefficient E | 2.00000e+00 | |||
| Comment | ChemSep eq 101, VaporPressure | |||
| Temperature range, min. | 700.15 | |||
| Temperature range, max. | 1113.00 | |||
| Pvap | 4.60 | kPa | 700.15 | Calculated Property |
| Pvap | 15.84 | kPa | 746.02 | Calculated Property |
| Pvap | 45.19 | kPa | 791.89 | Calculated Property |
| Pvap | 110.99 | kPa | 837.77 | Calculated Property |
| Pvap | 241.90 | kPa | 883.64 | Calculated Property |
| Pvap | 478.98 | kPa | 929.51 | Calculated Property |
| Pvap | 878.17 | kPa | 975.38 | Calculated Property |
| Pvap | 1513.61 | kPa | 1021.26 | Calculated Property |
| Pvap | 2483.16 | kPa | 1067.13 | Calculated Property |
| Pvap | 3917.05 | kPa | 1113.00 | Calculated Property |
| Pvap | [2.36; 6322.50] | kPa | [567.15; 1113.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 4.38606e+02 | |||
| Coefficient B | -3.45524e+04 | |||
| Coefficient C | -6.04690e+01 | |||
| Coefficient D | 2.04789e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| 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 |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ρl | [1419.73; 391.78] | kg/m3 | [700.15; 1113.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K | |||
| Coefficient A | 7.09129e+01 | |||
| Coefficient B | 1.81000e-01 | |||
| Coefficient C | 1.11300e+03 | |||
| Coefficient D | 2.85710e-01 | |||
| Comment | ChemSep eq 105, LiquidDensity | |||
| Temperature range, min. | 700.15 | |||
| Temperature range, max. | 1113.00 | |||
| ρl | 1419.73 | kg/m3 | 700.15 | Calculated Property |
| ρl | 1360.51 | kg/m3 | 746.02 | Calculated Property |
| ρl | 1298.57 | kg/m3 | 791.89 | Calculated Property |
| ρl | 1233.22 | kg/m3 | 837.77 | Calculated Property |
| ρl | 1163.50 | kg/m3 | 883.64 | Calculated Property |
| ρl | 1087.85 | kg/m3 | 929.51 | Calculated Property |
| ρl | 1003.62 | kg/m3 | 975.38 | Calculated Property |
| ρl | 905.49 | kg/m3 | 1021.26 | Calculated Property |
| ρl | 778.96 | kg/m3 | 1067.13 | Calculated Property |
| ρl | 391.78 | kg/m3 | 1113.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| λgas | [0.01; 0.04] | W/m×K | [274.00; 1000.00] |
ChemSep v8.3 pure component data Compiled value
|
| Equation | Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K | |||
| Coefficient A | 1.61840e-04 | |||
| Coefficient B | 8.86080e-01 | |||
| Coefficient C | 6.24290e+02 | |||
| Coefficient D | 9.09600e+04 | |||
| Comment | ChemSep eq 102, VaporThermalConductivity | |||
| Temperature range, min. | 274.00 | |||
| Temperature range, max. | 1000.00 | |||
| λgas | 0.01 | W/m×K | 274.00 | Calculated Property |
| λgas | 0.01 | W/m×K | 354.67 | Calculated Property |
| λgas | 0.01 | W/m×K | 435.33 | Calculated Property |
| λgas | 0.02 | W/m×K | 516.00 | Calculated Property |
| λgas | 0.02 | W/m×K | 596.67 | Calculated Property |
| λgas | 0.02 | W/m×K | 677.33 | Calculated Property |
| λgas | 0.03 | W/m×K | 758.00 | Calculated Property |
| λgas | 0.03 | W/m×K | 838.67 | Calculated Property |
| λgas | 0.04 | W/m×K | 919.33 | Calculated Property |
| λgas | 0.04 | W/m×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid.
Mixtures
- Acetic acid + Terephthalic acid
- Acetic acid + Terephthalic acid + Water
- Terephthalic acid + Water
- 1,3-Benzenedicarboxylic acid + 2-Pyrrolidinone, 1-methyl- + Terephthalic acid
- 2-Pyrrolidinone, 1-methyl- + 1,2-Benzenedicarboxylic acid + Terephthalic acid
- 2-Pyrrolidinone, 1-methyl- + Terephthalic acid
- Acetic acid, 2-methylpropyl ester + Terephthalic acid
- Formamide, N,N-dimethyl- + Terephthalaldehyde + Terephthalic acid
- 2-Pyrrolidinone, 1-methyl- + Terephthalaldehyde + Terephthalic acid
- 1,3-Benzenedicarboxylic acid + Formamide, N,N-dimethyl- + Terephthalic acid
- N,N-Dimethylacetamide + Terephthalic acid
- 2-Pyrrolidinone, 1-methyl- + Terephthalic acid + Water
- N,N-Dimethylacetamide + 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
- Terephthalic acid + Tetrahydrofuran
- Terephthalic acid + Cyclohexanone
- Ethane, 1,2-diethoxy- + Terephthalic acid
Find more mixtures with Terephthalic acid.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
- 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
- Solubility of Terephthaldialdehyde in N-Methyl-2-pyrrolidone and Solid-Liquid Phase Equilibrium for Ternary Systems of Terephthalic Acid + Terephthaldialdehyde + N,N-Dimethylformamide/N-Methyl-2-pyrrolidone
- 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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