- InChI
- InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3
- InChI Key
- CIXAYNMKFFQEFU-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- Cc1ccc(CC=O)cc1
- Molecular Weight1
- 134.18
- CAS
- 104-09-6
- Other Names
-
- p-Tolyl-acetaldehyde
- 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).
- 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 | 0.4319 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.736 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Inp | [1119.90; 1119.90] |
|
|
| Inp | 1119.90 | NIST | |
| Inp | 1119.90 | NIST | |
| I | [1772.00; 1772.00] |
|
|
| I | 1772.00 | NIST | |
| I | 1772.00 | NIST | |
| Tboil | 494.70 | K | NIST |
| Tc | 714.22 | K | Relay (1.0) Calculated Property |
| Tfus | 272.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.418 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 369.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.61; 352.86] | 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 | -1.34990e+01 | |||
| Coefficient B | 6.94920e-01 | |||
| Coefficient C | -4.22960e-04 | |||
| Coefficient D | 9.44000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 146.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 183.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 216.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 245.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 270.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 292.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 311.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 327.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 341.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 352.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024281; 0.0002753] | Pa×s | [272.13; 489.92] |
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 | -1.09178e+01 | |||
| Coefficient B | 1.33267e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 272.13 | |||
| Temperature range, max. | 489.92 | |||
| η | 0.0024281 | Pa×s | 272.13 | Calculated Property |
| η | 0.0016277 | Pa×s | 296.33 | Calculated Property |
| η | 0.0011591 | Pa×s | 320.53 | Calculated Property |
| η | 0.0008657 | Pa×s | 344.73 | Calculated Property |
| η | 0.0006718 | Pa×s | 368.93 | Calculated Property |
| η | 0.0005379 | Pa×s | 393.13 | Calculated Property |
| η | 0.0004419 | Pa×s | 417.33 | Calculated Property |
| η | 0.0003709 | Pa×s | 441.52 | Calculated Property |
| η | 0.0003171 | Pa×s | 465.72 | Calculated Property |
| η | 0.0002753 | Pa×s | 489.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetaldehyde, 4-methyl-.
Sources
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