- InChI
- InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
- InChI Key
- QQVIHTHCMHWDBS-UHFFFAOYSA-N
- Formula
- C8H6O4
- SMILES
- O=C(O)c1cccc(C(=O)O)c1
- Molecular Weight1
- 166.13
- CAS
- 121-91-5
- Other Names
-
- 1,3-Benzenedicarboxylic acid
- Acide isophtalique
- Benzene,1,3-dicarboxylic acid
- IPA
- Kyselina isoftalova
- NSC 15310
- m-Benzenedicarboxylic acid
- m-Dicarboxybenzene
- m-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).
- 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).
- 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 | [-3217.85; -3202.60] | kJ/mol |
|
| ΔcH°solid | -3204.10 ± 1.50 | kJ/mol | NIST |
| ΔcH°solid | -3202.60 ± 0.50 | kJ/mol | NIST |
| ΔcH°solid | -3217.85 | kJ/mol | NIST |
| ΔcH°solid | -3215.37 | kJ/mol | NIST |
| ΔfG° | -412.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.01 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-803.04; -801.50] | kJ/mol |
|
| ΔfH°solid | -801.50 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -803.04 | kJ/mol | NIST |
| ΔfusH° | 21.50 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 142.00 ± 0.70 | kJ/mol | NIST |
| ΔvapH° | 83.19 | kJ/mol | Joback Calculated Property |
| IE | 10.00 ± 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 | 621.20 | 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 | [201.70; 201.70] | J/mol×K | [323.00; 323.00] |
|
| Cp,solid | 201.70 | J/mol×K | 323.00 | NIST |
| Cp,solid | 201.70 | 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 |
| ΔfusH | 43.20 | kJ/mol | 617.40 | NIST |
| ΔsubH | [106.70; 134.60] | kJ/mol | [450.00; 528.00] |
|
| ΔsubH | 134.60 ± 1.60 | kJ/mol | 450.00 | NIST |
| ΔsubH | 114.20 | kJ/mol | 528.00 | NIST |
| ΔsubH | 106.70 ± 2.20 | kJ/mol | 528.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [2.81; 3941.63] | kPa | [619.15; 1007.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.32607e+02 | |||
| Coefficient B | -2.87138e+04 | |||
| Coefficient C | -2.91467e+01 | |||
| Coefficient D | 5.64805e-06 | |||
| Temperature range, min. | 619.15 | |||
| Temperature range, max. | 1007.00 | |||
| Pvap | 2.81 | kPa | 619.15 | Calculated Property |
| Pvap | 11.03 | kPa | 662.24 | Calculated Property |
| Pvap | 34.63 | kPa | 705.34 | Calculated Property |
| Pvap | 91.28 | kPa | 748.43 | Calculated Property |
| Pvap | 209.74 | kPa | 791.53 | Calculated Property |
| Pvap | 432.48 | kPa | 834.62 | Calculated Property |
| Pvap | 819.01 | kPa | 877.72 | Calculated Property |
| Pvap | 1450.79 | kPa | 920.81 | Calculated Property |
| Pvap | 2439.68 | kPa | 963.91 | Calculated Property |
| Pvap | 3941.63 | kPa | 1007.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid.
Mixtures
- Isophthalic acid + Formamide, N,N-dimethyl- + Terephthalic acid
- Isophthalic acid + Methyl Alcohol
- Isophthalic acid + 1-Propanol
- Isophthalic acid + Isopropyl Alcohol
- Isophthalic acid + 1-Butanol
- Isophthalic acid + 1-Pentanol
- Isophthalic acid + 1-Hexanol
- Isophthalic acid + Acetone
- Isophthalic acid + Ethanol
- Isophthalic acid + Ethyl Acetate
- Isophthalic acid + 2-Pyrrolidinone, 1-methyl-
- Isophthalic acid + Acetone + Water
- Isophthalic acid + Benzoic acid + Acetic acid
- Isophthalic acid + Acetic acid + Water
- Isophthalic acid + Acetic acid
- Isophthalic acid + Water
- Isophthalic acid + Isobutyl acetate
- Isophthalic acid + 2-Pyrrolidinone, 1-methyl- + Terephthalic acid
- Isophthalic acid + 2-Pyrrolidinone, 1-methyl- + 1,2-Benzenedicarboxylic acid
- Isophthalic acid + Tetrahydrofuran
Find more mixtures with Isophthalic acid.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Measurements of the solubilties of m-phthalic acid in acetone, ethanol and acetic ether
- Determination and prediction of solid-liquid phase equilibrium for quaternary system of terephthalic acid + isophthalic acid + phthalic acid + N-methyl-2-pyrrolidone at 303.15 K and 313.15 K
- Understanding the enhanced solubility of 1,3-benzenedicarboxylic acid in polar binary solvents of (acetone + water) at various temperatures
- Solubilities of Isophthalic Acid in Ternary Mixtures of Acetic Acid + Water + Benzoic Acid from 292.55 to 372.10 K
- Solubilities of 1,3-benzenedicarboxylic acid in Water+ Acetic Acid Solutions
- 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
- Phase Equilibrium and Phase Diagram for the System of Benzene Dicarboxylic Acid + N-Methyl-2-pyrrolidone
- Solubilities of 1,3,5-Benzenetricarboxylic Acid and 1,3-Benzenedicarboxylic Acid in Acetic Acid + Water Solvent Mixtures
- Measurement and Correlation of the Solubilities of m-Phthalic Acid in Monobasic Alcohols
- Solubilities of Terephthalic Acid, Phthalic Acid, and Isophthalic Acid in Tetrahydrofuran, Cyclohexanone, 1,2-Diethoxyethane, and Acetophenone
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.