- InChI
- InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3
- InChI Key
- GISVICWQYMUPJF-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- Cc1ccc(C=O)c(C)c1
- Molecular Weight1
- 134.18
- CAS
- 15764-16-6
- Other Names
-
- 2,4-Dimethylbenzaldehyde
- 2,4-Dimethylbenzenecarboxaldehyde
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 18.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.116 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | [1139.00; 1217.00] |
|
|
| Inp | 1180.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1181.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1143.00 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1217.00 | NIST | |
| Inp | 1182.00 | NIST | |
| I | [1710.00; 1742.00] |
|
|
| I | 1742.00 | NIST | |
| I | 1710.00 | NIST | |
| Tboil | 490.62 | K | Joback Calculated Property |
| Tc | 705.85 | K | Joback Calculated Property |
| Tfus | 284.65 | K | Joback Calculated Property |
| Vc | 0.449 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.09; 296.44] | J/mol×K | [490.62; 705.85] |
|
| Cp,gas | 235.09 | J/mol×K | 490.62 | Joback Calculated Property |
| Cp,gas | 246.84 | J/mol×K | 526.49 | Joback Calculated Property |
| Cp,gas | 257.95 | J/mol×K | 562.36 | Joback Calculated Property |
| Cp,gas | 268.44 | J/mol×K | 598.24 | Joback Calculated Property |
| Cp,gas | 278.35 | J/mol×K | 634.11 | Joback Calculated Property |
| Cp,gas | 287.67 | J/mol×K | 669.98 | Joback Calculated Property |
| Cp,gas | 296.44 | J/mol×K | 705.85 | Joback Calculated Property |
| η | [0.0002714; 0.0017961] | Pa×s | [284.65; 490.62] |
|
| η | 0.0017961 | Pa×s | 284.65 | Joback Calculated Property |
| η | 0.0011064 | Pa×s | 318.98 | Joback Calculated Property |
| η | 0.0007489 | Pa×s | 353.31 | Joback Calculated Property |
| η | 0.0005432 | Pa×s | 387.63 | Joback Calculated Property |
| η | 0.0004151 | Pa×s | 421.96 | Joback Calculated Property |
| η | 0.0003303 | Pa×s | 456.29 | Joback Calculated Property |
| η | 0.0002714 | Pa×s | 490.62 | Joback Calculated Property |
| ΔvapH | 57.40 | kJ/mol | 423.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [372.20; 376.00] | K | [1.30; 1.90] |
|
| Tboilr | 372.20 | K | 1.30 | NIST |
| Tboilr | 376.00 | K | 1.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [372.09; 518.48] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.68754e+01 | |||
| Coefficient B | -5.58943e+03 | |||
| Coefficient C | -3.51350e+01 | |||
| Temperature range, min. | 372.09 | |||
| Temperature range, max. | 518.48 | |||
| Pvap | 1.33 | kPa | 372.09 | Calculated Property |
| Pvap | 2.86 | kPa | 388.36 | Calculated Property |
| Pvap | 5.74 | kPa | 404.62 | Calculated Property |
| Pvap | 10.87 | kPa | 420.89 | Calculated Property |
| Pvap | 19.53 | kPa | 437.15 | Calculated Property |
| Pvap | 33.54 | kPa | 453.42 | Calculated Property |
| Pvap | 55.30 | kPa | 469.68 | Calculated Property |
| Pvap | 87.96 | kPa | 485.95 | Calculated Property |
| Pvap | 135.46 | kPa | 502.21 | Calculated Property |
| Pvap | 202.63 | kPa | 518.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 2,4-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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