- InChI
- InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
- InChI Key
- IQVAERDLDAZARL-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- CC(C=O)c1ccccc1
- Molecular Weight1
- 134.18
- CAS
- 93-53-8
- Other Names
-
- (.+/-.)-Hydratropic aldehyde
- 2-Fenyl-1-propanal
- 2-Phenyl-1-propanal
- 2-phenylpropanal
- 2-phenylpropionaldehyde
- Aldehyd hydratropovy
- Benzene, (1-formylethyl)-
- Cumene aldehyde
- Hyacinthal
- Hydratropa aldehyde
- Hydratropaldehyde
- Hydratropic aldehyde
- Hydrotropic aldehyde
- NSC 5231
- Propionaldehyde, 2-phenyl-
- propanal, 2-phenyl-
- «alpha»-Formylethylbenzene
- «alpha»-Methyl-«alpha»-toluic aldehyde
- «alpha»-Methylphenylacetaldehyde
- «alpha»-Phenylpropionaldehyde
- «alpha»-Tolualdehyde, «alpha»-methyl-
- 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.
- 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 | 0.3578 | Relay (1.0) Calculated Property | |
| ΔfG° | 35.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.989 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3589.94 | kPa | Joback Calculated Property |
| Inp | [1039.00; 1093.60] |
|
|
| Inp | 1090.00 | NIST | |
| Inp | 1083.90 | NIST | |
| Inp | 1093.60 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1093.60 | NIST | |
| Inp | 1083.90 | NIST | |
| I | [1612.00; 1631.00] |
|
|
| I | 1612.00 | NIST | |
| I | 1631.00 | NIST | |
| I | 1612.00 | NIST | |
| Tboil | 475.50 ± 1.50 | K | NIST |
| Tc | 700.46 | K | Relay (1.0) Calculated Property |
| Tfus | 270.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.409 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.06; 301.32] | J/mol×K | [480.22; 697.92] |
|
| Cp,gas | 235.06 | J/mol×K | 480.22 | Joback Calculated Property |
| Cp,gas | 248.02 | J/mol×K | 516.50 | Joback Calculated Property |
| Cp,gas | 260.17 | J/mol×K | 552.79 | Joback Calculated Property |
| Cp,gas | 271.54 | J/mol×K | 589.07 | Joback Calculated Property |
| Cp,gas | 282.17 | J/mol×K | 625.36 | Joback Calculated Property |
| Cp,gas | 292.08 | J/mol×K | 661.64 | Joback Calculated Property |
| Cp,gas | 301.32 | J/mol×K | 697.92 | Joback Calculated Property |
| η | [0.0002787; 0.0048271] | Pa×s | [244.61; 480.22] |
|
| η | 0.0048271 | Pa×s | 244.61 | Joback Calculated Property |
| η | 0.0021603 | Pa×s | 283.88 | Joback Calculated Property |
| η | 0.0011754 | Pa×s | 323.15 | Joback Calculated Property |
| η | 0.0007297 | Pa×s | 362.41 | Joback Calculated Property |
| η | 0.0004973 | Pa×s | 401.68 | Joback Calculated Property |
| η | 0.0003628 | Pa×s | 440.95 | Joback Calculated Property |
| η | 0.0002787 | Pa×s | 480.22 | Joback Calculated Property |
| ΔvapH | [43.40; 52.30] | kJ/mol | [440.50; 440.50] |
|
| ΔvapH | 52.30 ± 0.20 | kJ/mol | 440.50 | NIST |
| ΔvapH | 49.40 ± 0.20 | kJ/mol | 440.50 | NIST |
| ΔvapH | 46.60 ± 0.30 | kJ/mol | 440.50 | NIST |
| ΔvapH | 43.40 ± 0.50 | kJ/mol | 440.50 | NIST |
| Pvap | [3.06; 20.97] | kPa | [373.10; 423.15] |
|
| Pvap | 3.06 | kPa | 373.10 | Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid |
| Pvap | 20.97 | kPa | 423.15 | Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid |
Similar Compounds
Find more compounds similar to Benzeneacetaldehyde, «alpha»-methyl-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid
- Joback Method
- McGowan Method
- NIST Webbook
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