- InChI
- InChI=1S/C8H14O2/c1-4-7-8(9-5-2)10-6-3/h8H,5-6H2,1-3H3
- InChI Key
- FKKVKKSEVMQYER-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CC#CC(OCC)OCC
- Molecular Weight1
- 142.20
- CAS
- 2806-97-5
- Other Names
-
- 2-Butynyl aldehyde diethyl acetal
- Tetrolaldehyde diethyl acetal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -190.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.94 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.409 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Tboil | 413.49 | K | Relay (1.0) Calculated Property |
| Tfus | 218.98 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [254.70; 320.85] | J/mol×K | [436.04; 627.01] | 
|
| Cp,gas | 254.70 | J/mol×K | 436.04 | Joback Calculated Property |
| Cp,gas | 266.60 | J/mol×K | 467.87 | Joback Calculated Property |
| Cp,gas | 278.16 | J/mol×K | 499.70 | Joback Calculated Property |
| Cp,gas | 289.37 | J/mol×K | 531.53 | Joback Calculated Property |
| Cp,gas | 300.23 | J/mol×K | 563.36 | Joback Calculated Property |
| Cp,gas | 310.73 | J/mol×K | 595.18 | Joback Calculated Property |
| Cp,gas | 320.85 | J/mol×K | 627.01 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 334.00 ± 1.00 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Butyn-1-al diethyl 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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