- InChI
- InChI=1S/C13H16O2/c1-3-14-13(15-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4H2,1-2H3
- InChI Key
- DTEGZYXCDQFSBZ-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- CCOC(C#Cc1ccccc1)OCC
- Molecular Weight1
- 204.26
- CAS
- 6142-95-6
- Other Names
-
- Propiolaldehyde, phenyl-, diethyl acetal
- Phenylpropargyl aldehyde diethyl acetal
- 3-Phenylpropynal diethyl acetal
- 3-Phenyl-2-propynyl aldehyde diethyl acetal
- Phenylpropiolic aldehyde diethylacetal
- dehydrocinnamaldehyde-diethylacetal
- 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).
- 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° | 161.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -72.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.437 | Crippen Calculated Property | |
| McVol | 173.410 | ml/mol | McGowan Calculated Property |
| Pc | 2497.50 | kPa | Joback Calculated Property |
| Tboil | 576.92 | K | Joback Calculated Property |
| Tc | 798.58 | K | Joback Calculated Property |
| Tfus | 398.25 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.21; 496.36] | J/mol×K | [576.92; 798.58] | 
|
| Cp,gas | 410.21 | J/mol×K | 576.92 | Joback Calculated Property |
| Cp,gas | 426.81 | J/mol×K | 613.86 | Joback Calculated Property |
| Cp,gas | 442.50 | J/mol×K | 650.81 | Joback Calculated Property |
| Cp,gas | 457.28 | J/mol×K | 687.75 | Joback Calculated Property |
| Cp,gas | 471.18 | J/mol×K | 724.69 | Joback Calculated Property |
| Cp,gas | 484.20 | J/mol×K | 761.63 | Joback Calculated Property |
| Cp,gas | 496.36 | J/mol×K | 798.58 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [372.70; 416.00] | K | [0.30; 2.00] |
|
| Tboilr | 372.70 | K | 0.30 | NIST |
| Tboilr | 416.00 | K | 2.00 | NIST |
Similar Compounds
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)
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