- InChI
- InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7+
- InChI Key
- VLUMOWNVWOXZAU-VQHVLOKHSA-N
- Formula
- C10H10O
- SMILES
- CC(C=O)=Cc1ccccc1
- Molecular Weight1
- 146.19
- CAS
- 101-39-3
- Other Names
-
- Cinnamaldehyde, «alpha»-methyl-
- «alpha»-Methylcinnamaldehyde
- «alpha»-Methylcinnamic aldehyde
- 2-Methyl-3-phenylacrolein
- 2-Methyl-3-phenylacrylaldehyde
- «alpha»-Methylcinnimal
- Methyl cinnamic aldehyde
- 2-Methyl-3-phenyl-2-propenal
- Cinnamic aldehyde, «alpha»-methyl
- 2-Methyl-3-phenylpropenal
- 2-Methylcinnamaldehyde
- NSC 22283
- 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).
- 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° | 117.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 2.289 | Crippen Calculated Property | |
| McVol | 125.270 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | [1309.00; 1330.00] |
|
|
| Inp | 1309.00 | NIST | |
| Inp | 1309.00 | NIST | |
| Inp | 1330.00 | NIST | |
| Inp | 1309.00 | NIST | |
| I | [1992.00; 1992.00] |
|
|
| I | 1992.00 | NIST | |
| I | 1992.00 | NIST | |
| I | 1992.00 | NIST | |
| Tboil | 507.58 | K | Joback Calculated Property |
| Tc | 731.50 | K | Joback Calculated Property |
| Tfus | 251.84 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.82; 326.56] | J/mol×K | [507.58; 731.50] |
|
| Cp,gas | 259.82 | J/mol×K | 507.58 | Joback Calculated Property |
| Cp,gas | 273.09 | J/mol×K | 544.90 | Joback Calculated Property |
| Cp,gas | 285.43 | J/mol×K | 582.22 | Joback Calculated Property |
| Cp,gas | 296.89 | J/mol×K | 619.54 | Joback Calculated Property |
| Cp,gas | 307.53 | J/mol×K | 656.86 | Joback Calculated Property |
| Cp,gas | 317.40 | J/mol×K | 694.18 | Joback Calculated Property |
| Cp,gas | 326.56 | J/mol×K | 731.50 | Joback Calculated Property |
| ΔvapH | [47.70; 71.50] | kJ/mol | [368.00; 478.50] |
|
| ΔvapH | 71.50 | kJ/mol | 368.00 | NIST |
| ΔvapH | 59.30 ± 0.20 | kJ/mol | 478.50 | NIST |
| ΔvapH | 56.30 ± 0.20 | kJ/mol | 478.50 | NIST |
| ΔvapH | 53.40 ± 0.20 | kJ/mol | 478.50 | NIST |
| ΔvapH | 50.50 ± 0.40 | kJ/mol | 478.50 | NIST |
| ΔvapH | 47.70 ± 0.60 | kJ/mol | 478.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 421.70 | K | 3.60 | NIST |
Similar Compounds
Find more compounds similar to 2-Propenal, 2-methyl-3-phenyl-.
Sources
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