- InChI
- InChI=1S/C6H12O2/c1-4-5-6(7-2)8-3/h4-6H,1-3H3/b5-4-
- InChI Key
- NOYRGONWBIVLEL-SNAWJCMRSA-N
- Formula
- C6H12O2
- SMILES
- C/C=C/C(OC)OC
- Molecular Weight1
- 116.16
- Other Names
-
- 1,1-dimethoxybut-2-ene
- 2-Butenal dimethyl acetal
- Crotonaldehyde, dimethyl acetal
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -321.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.86 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.181 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Tboil | 388.61 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [189.98; 245.64] | J/mol×K | [385.44; 563.49] | 
|
| Cp,gas | 189.98 | J/mol×K | 385.44 | Joback Calculated Property |
| Cp,gas | 200.01 | J/mol×K | 415.12 | Joback Calculated Property |
| Cp,gas | 209.74 | J/mol×K | 444.79 | Joback Calculated Property |
| Cp,gas | 219.17 | J/mol×K | 474.47 | Joback Calculated Property |
| Cp,gas | 228.29 | J/mol×K | 504.14 | Joback Calculated Property |
| Cp,gas | 237.12 | J/mol×K | 533.82 | Joback Calculated Property |
| Cp,gas | 245.64 | J/mol×K | 563.49 | Joback Calculated Property |
| η | [0.0001614; 0.0043568] | Pa×s | [181.76; 385.44] |
|
| η | 0.0043568 | Pa×s | 181.76 | Joback Calculated Property |
| η | 0.0016326 | Pa×s | 215.71 | Joback Calculated Property |
| η | 0.0007990 | Pa×s | 249.65 | Joback Calculated Property |
| η | 0.0004640 | Pa×s | 283.60 | Joback Calculated Property |
| η | 0.0003026 | Pa×s | 317.55 | Joback Calculated Property |
| η | 0.0002144 | Pa×s | 351.49 | Joback Calculated Property |
| η | 0.0001614 | Pa×s | 385.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butene, 1,1-dimethoxy-.
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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