- InChI
- InChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H
- InChI Key
- IZALUMVGBVKPJD-UHFFFAOYSA-N
- Formula
- C8H6O2
- SMILES
- O=Cc1cccc(C=O)c1
- Molecular Weight1
- 134.13
- CAS
- 626-19-7
- Other Names
-
- m-Phthalaldehyde
- Isophthalic dicarboxaldehyde
- Isophthaldehyde
- 1,3-Benzenedicarboxaldehyde
- Isophtaldehydes
- 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).
- 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).
- 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 | [0.97; 1.01] | eV |
|
| EA | 0.97 ± 0.09 | eV | NIST |
| EA | 1.01 ± 0.09 | 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 |
| 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 |
| I | 2341.00 | NIST | |
| Tboil | 511.42 | K | Joback Calculated Property |
| Tc | 733.14 | K | Joback Calculated Property |
| Tfus | 362.00 ± 2.00 | 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 Isophthalaldehyde.
Sources
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