- InChI
- InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2,4,7H,5-6H2,1H3
- InChI Key
- LLCXUUIYEHIXTB-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- CC=C=CCCO
- Molecular Weight1
- 98.14
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | 71.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -39.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.02 | kJ/mol | Joback Calculated Property |
| log10WS | -1.33 | Crippen Calculated Property | |
| logPoct/wat | 1.100 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 4119.70 | kPa | Joback Calculated Property |
| Inp | [819.00; 819.00] |
|
|
| Inp | 819.00 | NIST | |
| Inp | 819.00 | NIST | |
| Inp | 819.00 | NIST | |
| I | [1193.00; 1194.00] |
|
|
| I | 1193.00 | NIST | |
| I | 1194.00 | NIST | |
| I | 1193.00 | NIST | |
| Tboil | 436.29 | K | Joback Calculated Property |
| Tc | 615.22 | K | Joback Calculated Property |
| Tfus | 219.63 | K | Joback Calculated Property |
| Vc | 0.350 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.85; 224.32] | J/mol×K | [436.29; 615.22] |
|
| Cp,gas | 179.85 | J/mol×K | 436.29 | Joback Calculated Property |
| Cp,gas | 188.05 | J/mol×K | 466.11 | Joback Calculated Property |
| Cp,gas | 195.93 | J/mol×K | 495.93 | Joback Calculated Property |
| Cp,gas | 203.48 | J/mol×K | 525.76 | Joback Calculated Property |
| Cp,gas | 210.73 | J/mol×K | 555.58 | Joback Calculated Property |
| Cp,gas | 217.67 | J/mol×K | 585.40 | Joback Calculated Property |
| Cp,gas | 224.32 | J/mol×K | 615.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Methyl-3-(hydroxy-ethyl)propadiene.
Sources
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