- InChI
- InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3
- InChI Key
- POQJHLBMLVTHAU-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- Cc1ccc(C=O)cc1C
- Molecular Weight1
- 134.18
- Other Names
-
- 3,4-Dimethylbenzaldehyde
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.4475 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | 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 | 1165.00 | NIST | |
| I | 1790.00 | NIST | |
| Tboil | 501.08 | K | Relay (1.0) Calculated Property |
| Tc | 744.37 | K | Relay (1.0) Calculated Property |
| Tfus | 281.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.422 | m3/kmol | Relay (1.0) Calculated Property |
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 | [0.0017961; 0.0002662] | Pa×s | [284.65; 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 | |||
| Temperature range, min. | 284.65 | |||
| Temperature range, max. | 494.30 | |||
| η | 0.0017961 | Pa×s | 284.65 | Calculated Property |
| η | 0.0012777 | Pa×s | 307.94 | Calculated Property |
| η | 0.0009536 | Pa×s | 331.24 | Calculated Property |
| η | 0.0007396 | Pa×s | 354.53 | Calculated Property |
| η | 0.0005918 | Pa×s | 377.83 | Calculated Property |
| η | 0.0004860 | Pa×s | 401.12 | Calculated Property |
| η | 0.0004079 | Pa×s | 424.42 | Calculated Property |
| η | 0.0003486 | Pa×s | 447.71 | Calculated Property |
| η | 0.0003026 | Pa×s | 471.00 | Calculated Property |
| η | 0.0002662 | Pa×s | 494.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 3,4-dimethyl-.
Sources
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