- InChI
- InChI=1S/C11H14O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3/b9-8+
- InChI Key
- MBAOABFNWSOOLU-CMDGGOBGSA-N
- Formula
- C11H14O2
- SMILES
- COC(C=Cc1ccccc1)OC
- Molecular Weight1
- 178.23
- CAS
- 4364-06-1
- Other Names
-
- (3,3-dimethoxypropen-1-yl)benzene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -189.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.319 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Tboil | 509.05 | K | Relay (1.0) Calculated Property |
| Tfus | 285.32 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.42; 412.86] | J/mol×K | [526.52; 739.13] | 
|
| Cp,gas | 333.42 | J/mol×K | 526.52 | Joback Calculated Property |
| Cp,gas | 348.67 | J/mol×K | 561.96 | Joback Calculated Property |
| Cp,gas | 363.09 | J/mol×K | 597.39 | Joback Calculated Property |
| Cp,gas | 376.69 | J/mol×K | 632.83 | Joback Calculated Property |
| Cp,gas | 389.51 | J/mol×K | 668.26 | Joback Calculated Property |
| Cp,gas | 401.56 | J/mol×K | 703.70 | Joback Calculated Property |
| Cp,gas | 412.86 | J/mol×K | 739.13 | Joback Calculated Property |
| η | [0.0001218; 0.0026523] | Pa×s | [264.53; 526.52] |
|
| η | 0.0026523 | Pa×s | 264.53 | Joback Calculated Property |
| η | 0.0011032 | Pa×s | 308.20 | Joback Calculated Property |
| η | 0.0005705 | Pa×s | 351.86 | Joback Calculated Property |
| η | 0.0003412 | Pa×s | 395.52 | Joback Calculated Property |
| η | 0.0002261 | Pa×s | 439.19 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 482.86 | Joback Calculated Property |
| η | 0.0001218 | Pa×s | 526.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cinnamic aldehyde, dimethyl acetal.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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