- InChI
- InChI=1S/C9H8O/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H2
- InChI Key
- ZFBRJUBOJXNIQM-UHFFFAOYSA-N
- Formula
- C9H8O
- SMILES
- C=C(C=O)c1ccccc1
- Molecular Weight1
- 132.16
- CAS
- 4432-63-7
- Other Names
-
- Benzeneacetaldehyde, «alpha»-methylene-
- Atropaldehyde
- «alpha»-Phenylacrolein
- 2-phenyl-2-propenal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 117.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 37.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.03 | kJ/mol | Joback Calculated Property |
| log10WS | -1.99 | Crippen Calculated Property | |
| logPoct/wat | 1.899 | Crippen Calculated Property | |
| McVol | 111.180 | ml/mol | McGowan Calculated Property |
| Pc | 3763.78 | kPa | Joback Calculated Property |
| Inp | [1147.60; 1161.00] |
|
|
| Inp | 1161.00 | NIST | |
| Inp | 1147.60 | NIST | |
| Inp | 1147.60 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1150.00 | NIST | |
| Inp | 1161.00 | NIST | |
| I | [1776.00; 1776.00] |
|
|
| I | 1776.00 | NIST | |
| I | 1776.00 | NIST | |
| Tboil | 477.22 | K | Joback Calculated Property |
| Tc | 699.09 | K | Joback Calculated Property |
| Tfus | 243.89 | K | Joback Calculated Property |
| Vc | 0.430 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.66; 278.39] | J/mol×K | [477.22; 699.09] |
|
| Cp,gas | 217.66 | J/mol×K | 477.22 | Joback Calculated Property |
| Cp,gas | 229.71 | J/mol×K | 514.20 | Joback Calculated Property |
| Cp,gas | 240.92 | J/mol×K | 551.18 | Joback Calculated Property |
| Cp,gas | 251.36 | J/mol×K | 588.15 | Joback Calculated Property |
| Cp,gas | 261.05 | J/mol×K | 625.13 | Joback Calculated Property |
| Cp,gas | 270.05 | J/mol×K | 662.11 | Joback Calculated Property |
| Cp,gas | 278.39 | J/mol×K | 699.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenylpropenal.
Sources
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