- 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
- ω : Acentric Factor.
- 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).
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 |
|---|---|---|---|
| ω | 0.4454 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) 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 | |
| Ip | [1710.00; 1742.00] |
|
|
| Ip | 1742.00 | NIST | |
| Ip | 1710.00 | NIST | |
| Tboil | 497.25 | K | Relay (1.0) Calculated Property |
| Tc | 736.28 | K | Relay (1.0) Calculated Property |
| Tfus | 264.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [149.16; 349.82] | 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 | 8.00000e-01 | |||
| Coefficient B | 6.35440e-01 | |||
| Coefficient C | -3.55920e-04 | |||
| Coefficient D | 6.95000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 184.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 215.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 243.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 267.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 289.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 308.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 324.34 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 338.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 349.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025472; 0.0002662] | Pa×s | [264.15; 494.30] |
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 | -1.08238e+01 | |||
| Coefficient B | 1.28141e+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. | 264.15 | |||
| Temperature range, max. | 494.30 | |||
| η | 0.0025472 | Pa×s | 264.15 | Calculated Property |
| η | 0.0016600 | Pa×s | 289.72 | Calculated Property |
| η | 0.0011596 | Pa×s | 315.29 | Calculated Property |
| η | 0.0008549 | Pa×s | 340.87 | Calculated Property |
| η | 0.0006576 | Pa×s | 366.44 | Calculated Property |
| η | 0.0005235 | Pa×s | 392.01 | Calculated Property |
| η | 0.0004285 | Pa×s | 417.58 | Calculated Property |
| η | 0.0003590 | Pa×s | 443.15 | Calculated Property |
| η | 0.0003066 | Pa×s | 468.73 | Calculated Property |
| η | 0.0002662 | Pa×s | 494.30 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [372.09; 518.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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