- InChI
- InChI=1S/C9H8O2/c1-7-4-8(5-10)2-3-9(7)6-11/h2-6H,1H3
- InChI Key
- MNHWRUCVFATHDL-UHFFFAOYSA-N
- Formula
- C9H8O2
- SMILES
- Cc1cc(C=O)ccc1C=O
- Molecular Weight1
- 148.16
- CAS
- 27587-17-3
- Other Names
-
- Terephthalaldehyde, methyl-
- 2-Methylterephthalaldehyde
- 2-Methyl-p-phthalaldehyde
- Cp,gas : Ideal gas 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -80.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 1.620 | Crippen Calculated Property | |
| McVol | 117.050 | ml/mol | McGowan Calculated Property |
| Pc | 3749.97 | kPa | Joback Calculated Property |
| Tboil | 539.28 | K | Joback Calculated Property |
| Tc | 758.36 | K | Joback Calculated Property |
| Tfus | 326.65 | K | Joback Calculated Property |
| Vc | 0.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.21; 303.47] | J/mol×K | [539.28; 758.36] | 
|
| Cp,gas | 250.21 | J/mol×K | 539.28 | Joback Calculated Property |
| Cp,gas | 260.57 | J/mol×K | 575.79 | Joback Calculated Property |
| Cp,gas | 270.31 | J/mol×K | 612.31 | Joback Calculated Property |
| Cp,gas | 279.45 | J/mol×K | 648.82 | Joback Calculated Property |
| Cp,gas | 288.01 | J/mol×K | 685.33 | Joback Calculated Property |
| Cp,gas | 296.01 | J/mol×K | 721.84 | Joback Calculated Property |
| Cp,gas | 303.47 | J/mol×K | 758.36 | Joback Calculated Property |
| η | [0.0003404; 0.0020171] | Pa×s | [326.65; 539.28] |
|
| η | 0.0020171 | Pa×s | 326.65 | Joback Calculated Property |
| η | 0.0012969 | Pa×s | 362.09 | Joback Calculated Property |
| η | 0.0009022 | Pa×s | 397.53 | Joback Calculated Property |
| η | 0.0006660 | Pa×s | 432.96 | Joback Calculated Property |
| η | 0.0005148 | Pa×s | 468.40 | Joback Calculated Property |
| η | 0.0004126 | Pa×s | 503.84 | Joback Calculated Property |
| η | 0.0003404 | Pa×s | 539.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedicarboxaldehyde, 2-methyl-.
Sources
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