- InChI
- InChI=1S/C6H8O/c1-3-5-6-7-4-2/h6H,1,4H2,2H3
- InChI Key
- DGJJASURVQPVJG-UHFFFAOYSA-N
- Formula
- C6H8O
- SMILES
- C=C=C=COCC
- Molecular Weight1
- 96.13
- CAS
- 26842-75-1
- 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° | 239.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 151.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.56 | kJ/mol | Joback Calculated Property |
| log10WS | -1.52 | Crippen Calculated Property | |
| logPoct/wat | 1.477 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 3980.54 | kPa | Joback Calculated Property |
| Tboil | 362.32 | K | Joback Calculated Property |
| Tc | 553.87 | K | Joback Calculated Property |
| Tfus | 190.87 | K | Joback Calculated Property |
| Vc | 0.331 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.94; 193.68] | J/mol×K | [362.32; 553.87] | 
|
| Cp,gas | 152.94 | J/mol×K | 362.32 | Joback Calculated Property |
| Cp,gas | 159.91 | J/mol×K | 394.25 | Joback Calculated Property |
| Cp,gas | 166.84 | J/mol×K | 426.17 | Joback Calculated Property |
| Cp,gas | 173.70 | J/mol×K | 458.10 | Joback Calculated Property |
| Cp,gas | 180.48 | J/mol×K | 490.02 | Joback Calculated Property |
| Cp,gas | 187.14 | J/mol×K | 521.95 | Joback Calculated Property |
| Cp,gas | 193.68 | J/mol×K | 553.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Butatriene, 1-ethoxy.
Sources
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