- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3279 | Relay (1.0) Calculated Property | |
| ΔfG° | 6.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -190.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.409 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Tboil | 413.49 | K | Relay (1.0) Calculated Property |
| Tc | 582.00 | K | Relay (1.0) Calculated Property |
| Tfus | 219.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.455 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.62; 320.76] | J/mol×K | [435.84; 626.73] | 
|
| Cp,gas | 254.62 | J/mol×K | 435.84 | Joback Calculated Property |
| Cp,gas | 266.52 | J/mol×K | 467.65 | Joback Calculated Property |
| Cp,gas | 278.08 | J/mol×K | 499.47 | Joback Calculated Property |
| Cp,gas | 289.29 | J/mol×K | 531.28 | Joback Calculated Property |
| Cp,gas | 300.15 | J/mol×K | 563.10 | Joback Calculated Property |
| Cp,gas | 310.64 | J/mol×K | 594.91 | Joback Calculated Property |
| Cp,gas | 320.76 | J/mol×K | 626.73 | 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
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