- InChI
- InChI=1S/C6H8O/c1-3-5-6-7-4-2/h1,5-6H,4H2,2H3/b6-5+
- InChI Key
- LYWWXPVUSWJFCZ-AATRIKPKSA-N
- Formula
- C6H8O
- SMILES
- C#CC=COCC
- Molecular Weight1
- 96.13
- CAS
- 2806-41-9
- 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).
- 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° | 197.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 109.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.18 | kJ/mol | Joback Calculated Property |
| log10WS | -1.56 | Crippen Calculated Property | |
| logPoct/wat | 1.170 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Tboil | 353.38 | K | Joback Calculated Property |
| Tc | 539.48 | K | Joback Calculated Property |
| Tfus | 221.50 | K | Joback Calculated Property |
| Vc | 0.332 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [146.12; 190.34] | J/mol×K | [353.38; 539.48] | 
|
| Cp,gas | 146.12 | J/mol×K | 353.38 | Joback Calculated Property |
| Cp,gas | 154.36 | J/mol×K | 384.40 | Joback Calculated Property |
| Cp,gas | 162.23 | J/mol×K | 415.41 | Joback Calculated Property |
| Cp,gas | 169.75 | J/mol×K | 446.43 | Joback Calculated Property |
| Cp,gas | 176.94 | J/mol×K | 477.44 | Joback Calculated Property |
| Cp,gas | 183.80 | J/mol×K | 508.46 | Joback Calculated Property |
| Cp,gas | 190.34 | J/mol×K | 539.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to But-1-ene-3-yne, 1-ethoxy-.
Sources
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