- InChI
- InChI=1S/C10H12O/c1-7-4-5-10(6-11)9(3)8(7)2/h4-6H,1-3H3
- InChI Key
- RPZOPDOUASNMNP-UHFFFAOYSA-N
- Formula
- C10H12O
- SMILES
- Cc1ccc(C=O)c(C)c1C
- Molecular Weight1
- 148.20
- CAS
- 34341-28-1
- Other Names
-
- 2,3,4-TrimethyIbenzaldehyde
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -141.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.424 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Inp | [1277.00; 1331.00] |
|
|
| Inp | 1277.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Inp | 1331.00 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1277.00 | NIST | |
| I | [1925.00; 1925.00] |
|
|
| I | 1925.00 | NIST | |
| I | 1925.00 | NIST | |
| I | 1925.00 | NIST | |
| I | 1925.00 | NIST | |
| I | 1925.00 | NIST | |
| Tboil | 523.20 | K | Relay (1.0) Calculated Property |
| Tfus | 316.57 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.93; 398.37] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.41900e+01 | |||
| Coefficient B | 6.70960e-01 | |||
| Coefficient C | -3.43280e-04 | |||
| Coefficient D | 5.65000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 211.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 245.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 276.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 304.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 328.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 350.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 384.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 398.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014505; 0.0002628] | Pa×s | [308.44; 512.27] |
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 | -1.08294e+01 | |||
| Coefficient B | 1.32431e+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. | 308.44 | |||
| Temperature range, max. | 512.27 | |||
| η | 0.0014505 | Pa×s | 308.44 | Calculated Property |
| η | 0.0010814 | Pa×s | 331.09 | Calculated Property |
| η | 0.0008371 | Pa×s | 353.73 | Calculated Property |
| η | 0.0006682 | Pa×s | 376.38 | Calculated Property |
| η | 0.0005473 | Pa×s | 399.03 | Calculated Property |
| η | 0.0004579 | Pa×s | 421.68 | Calculated Property |
| η | 0.0003902 | Pa×s | 444.32 | Calculated Property |
| η | 0.0003377 | Pa×s | 466.97 | Calculated Property |
| η | 0.0002962 | Pa×s | 489.62 | Calculated Property |
| η | 0.0002628 | Pa×s | 512.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trimethylbenzaldehyde.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- 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.
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