- InChI
- InChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
- InChI Key
- KUCOHFSKRZZVRO-UHFFFAOYSA-N
- Formula
- C8H6O2
- SMILES
- O=Cc1ccc(C=O)cc1
- Molecular Weight1
- 134.13
- CAS
- 623-27-8
- Other Names
-
- 1,4-Benzenedialdehyde
- 1,4-Benzenedicarbaldehyde
- 1,4-Diformylbenzene
- 4-Formylbenzaldehyde
- NSC 13395
- Terephtaldehyde
- Terephthaladehyde
- Terephthalaldehyde
- Terephthaldialdehyde
- Terephthaldicarboxaldehyde
- p-Benzenedialdehyde
- p-Benzenedicarboxaldehyde
- p-Formylbenzaldehyde
- p-Phthalaldehyde
- p-Phthaldialdehyde
- terephthaldehyde
- terephthalic aldehyde
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| EA | [0.56; 1.28] | eV |
|
| EA | 1.24 ± 0.09 | eV | NIST |
| EA | 1.28 ± 0.09 | eV | NIST |
| EA | 0.56 | eV | NIST |
| ΔfG° | -79.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.78 | kJ/mol | Joback Calculated Property |
| IE | 10.13 ± 0.01 | eV | NIST |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.312 | Crippen Calculated Property | |
| McVol | 102.960 | ml/mol | McGowan Calculated Property |
| Pc | 4316.89 | kPa | Joback Calculated Property |
| Inp | 1166.00 | NIST | |
| I | 2347.00 | NIST | |
| Tboil | [519.50; 519.70] | K |
|
| Tboil | 519.70 | K | NIST |
| Tboil | 519.50 ± 1.50 | K | NIST |
| Tc | 733.14 | K | Joback Calculated Property |
| Tfus | [387.25; 389.00] | K |
|
| Tfus | 387.25 | K | Solubil... |
| Tfus | 389.00 | K | NIST |
| Vc | 0.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.76; 257.27] | J/mol×K | [511.42; 733.14] |
|
| Cp,gas | 208.76 | J/mol×K | 511.42 | Joback Calculated Property |
| Cp,gas | 218.33 | J/mol×K | 548.37 | Joback Calculated Property |
| Cp,gas | 227.27 | J/mol×K | 585.33 | Joback Calculated Property |
| Cp,gas | 235.61 | J/mol×K | 622.28 | Joback Calculated Property |
| Cp,gas | 243.38 | J/mol×K | 659.23 | Joback Calculated Property |
| Cp,gas | 250.59 | J/mol×K | 696.19 | Joback Calculated Property |
| Cp,gas | 257.27 | J/mol×K | 733.14 | Joback Calculated Property |
| η | [0.0003653; 0.0025093] | Pa×s | [302.86; 511.42] |
|
| η | 0.0025093 | Pa×s | 302.86 | Joback Calculated Property |
| η | 0.0015427 | Pa×s | 337.62 | Joback Calculated Property |
| η | 0.0010385 | Pa×s | 372.38 | Joback Calculated Property |
| η | 0.0007480 | Pa×s | 407.14 | Joback Calculated Property |
| η | 0.0005673 | Pa×s | 441.90 | Joback Calculated Property |
| η | 0.0004480 | Pa×s | 476.66 | Joback Calculated Property |
| η | 0.0003653 | Pa×s | 511.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedicarboxaldehyde.
Mixtures
- Ethanol + 1,4-Benzenedicarboxaldehyde
- 1-Propanol + 1,4-Benzenedicarboxaldehyde
- Isopropyl Alcohol + 1,4-Benzenedicarboxaldehyde
- 1,4-Benzenedicarboxaldehyde + 1-Butanol
- 1,4-Benzenedicarboxaldehyde + Acetone
- 2-Butanone + 1,4-Benzenedicarboxaldehyde
- Benzyl alcohol + 1,4-Benzenedicarboxaldehyde
- Acetonitrile + 1,4-Benzenedicarboxaldehyde
- 1-Butanol, 3-methyl- + 1,4-Benzenedicarboxaldehyde
- Formamide, N,N-dimethyl- + 1,4-Benzenedicarboxaldehyde
- Formamide, N,N-dimethyl- + Ethanol + 1,4-Benzenedicarboxaldehyde
- Isopropyl Alcohol + Formamide, N,N-dimethyl- + 1,4-Benzenedicarboxaldehyde
- Formamide, N,N-dimethyl- + 1,4-Benzenedicarboxaldehyde + Ethyl Acetate
- Formamide, N,N-dimethyl- + 1-Butanol, 3-methyl- + 1,4-Benzenedicarboxaldehyde
- 1,4-Benzenedicarboxaldehyde + Ethyl Acetate
- 1,4-Benzenedicarboxaldehyde + Ethyl Acetate + Benzaldehyde, 4-hydroxy-
- 1,4-Benzenedicarboxaldehyde + Acetone + Benzaldehyde, 4-hydroxy-
Sources
- Crippen Method
- Crippen Method
- Solubility determination and thermodynamic modelling of terephthaldialdehyde in ten organic solvents from T = (273.15 to 318.15) K and mixing properties of solutions
- Determination and correlation of terephthaldialdehyde solubility in (ethanol, isopropanol, ethyl acetate, isopentanol) + N,Ndimethylformamide mixed solvents at temperatures from 273.15 K to 318.15 K
- Determination and Modeling of Solid-Liquid Equilibrium for Ternary Systems of Terephthaldialdehyde + 4-Hydroxybenzaldehyde + Ethyl Acetate/Acetone
- Joback Method
- McGowan Method
- NIST Webbook
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