- InChI
- InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
- InChI Key
- YGCZTXZTJXYWCO-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- O=CCCc1ccccc1
- Molecular Weight1
- 134.18
- CAS
- 104-53-0
- Other Names
-
- 3-Phenyl-1-propanal
- 3-Phenylpropan-1-al
- 3-Phenylpropanal
- 3-Phenylpropionaldehyde
- 3-Phenylpropylaldehyde
- Benzylacetaldehyde
- Dihydrocinnamaldehyde
- Hydrocinnamaldehyde
- Hydrocinnamic aldehyde
- NSC 9271
- Propionaidehyde, 3-phenyl-
- phenyl propionaldehyde
- «beta»-Phenylpropionaldehyde
- «beta»-Phenylpropionaldehyde
- 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).
- 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° | 37.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -78.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.62 | kJ/mol | Joback Calculated Property |
| log10WS | -1.97 | Crippen Calculated Property | |
| logPoct/wat | 1.818 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Inp | [1109.00; 1180.00] |
|
|
| Inp | 1132.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1128.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1162.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | 1160.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1109.00 | NIST | |
| Inp | 1128.00 | NIST | |
| I | [1723.00; 1809.00] |
|
|
| I | 1809.00 | NIST | |
| I | 1793.00 | NIST | |
| I | 1745.00 | NIST | |
| I | 1745.00 | NIST | |
| I | 1783.00 | NIST | |
| I | 1761.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1783.00 | NIST | |
| I | 1793.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1809.00 | NIST | |
| I | 1783.00 | NIST | |
| Tboil | 480.66 | K | Joback Calculated Property |
| Tc | 693.34 | K | Joback Calculated Property |
| Tfus | 259.61 | K | Joback Calculated Property |
| Vc | 0.449 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.85; 299.47] | J/mol×K | [480.66; 693.34] |
|
| Cp,gas | 234.85 | J/mol×K | 480.66 | Joback Calculated Property |
| Cp,gas | 247.43 | J/mol×K | 516.11 | Joback Calculated Property |
| Cp,gas | 259.25 | J/mol×K | 551.55 | Joback Calculated Property |
| Cp,gas | 270.33 | J/mol×K | 587.00 | Joback Calculated Property |
| Cp,gas | 280.70 | J/mol×K | 622.45 | Joback Calculated Property |
| Cp,gas | 290.40 | J/mol×K | 657.89 | Joback Calculated Property |
| Cp,gas | 299.47 | J/mol×K | 693.34 | Joback Calculated Property |
| η | [0.0002938; 0.0034100] | Pa×s | [259.61; 480.66] |
|
| η | 0.0034100 | Pa×s | 259.61 | Joback Calculated Property |
| η | 0.0017581 | Pa×s | 296.45 | Joback Calculated Property |
| η | 0.0010494 | Pa×s | 333.29 | Joback Calculated Property |
| η | 0.0006941 | Pa×s | 370.13 | Joback Calculated Property |
| η | 0.0004948 | Pa×s | 406.98 | Joback Calculated Property |
| η | 0.0003731 | Pa×s | 443.82 | Joback Calculated Property |
| η | 0.0002938 | Pa×s | 480.66 | Joback Calculated Property |
| ΔvapH | 67.50 | kJ/mol | 346.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [370.70; 377.70] | K | [1.60; 1.70] |
|
| Tboilr | 370.70 | K | 1.60 | NIST |
| Tboilr | 377.70 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Benzenepropanal.
Sources
- Crippen Method
- Crippen Method
- Quantitative NMR spectroscopy of binary liquid mixtures (aldehyde + alcohol). Part III: (1-decanal or 3-phenylpropanal or 2-chlorobenzaldehyde) + (methanol or ethanol or 1-propanol)
- Joback Method
- McGowan Method
- NIST Webbook
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