- InChI
- InChI=1S/C8H12O/c1-4-8(9)6-5-7(2)3/h8-9H,2,4H2,1,3H3
- InChI Key
- DUDZQARPXNGCOB-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- C=C(C)C#CC(O)CC
- Molecular Weight1
- 124.18
- CAS
- 95764-76-4
- 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.
- 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° | 159.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.337 | Crippen Calculated Property | |
| McVol | 116.550 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Inp | [972.00; 972.00] |
|
|
| Inp | 972.00 | NIST | |
| Inp | 972.00 | NIST | |
| Tboil | 479.74 | K | Joback Calculated Property |
| Tc | 670.27 | K | Joback Calculated Property |
| Tfus | 316.12 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.27; 296.64] | J/mol×K | [479.74; 670.27] |
|
| Cp,gas | 241.27 | J/mol×K | 479.74 | Joback Calculated Property |
| Cp,gas | 251.64 | J/mol×K | 511.49 | Joback Calculated Property |
| Cp,gas | 261.53 | J/mol×K | 543.25 | Joback Calculated Property |
| Cp,gas | 270.95 | J/mol×K | 575.00 | Joback Calculated Property |
| Cp,gas | 279.94 | J/mol×K | 606.76 | Joback Calculated Property |
| Cp,gas | 288.50 | J/mol×K | 638.51 | Joback Calculated Property |
| Cp,gas | 296.64 | J/mol×K | 670.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyl-6-hepten-4-yn-3-ol.
Sources
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