- InChI
- InChI=1S/C7H10O/c1-6(2)4-5-7(3)8/h7-8H,1H2,2-3H3
- InChI Key
- WMFIGZRDWHYIOC-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- C=C(C)C#CC(C)O
- Molecular Weight1
- 110.15
- CAS
- 68017-33-4
- 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).
- 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 | 0.4637 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 22.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.947 | Crippen Calculated Property | |
| McVol | 102.460 | ml/mol | McGowan Calculated Property |
| Pc | 3990.60 | kPa | Joback Calculated Property |
| Tboil | 431.35 | K | Relay (1.0) Calculated Property |
| Tc | 599.87 | K | Relay (1.0) Calculated Property |
| Tfus | 264.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.369 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.22; 250.26] | J/mol×K | [456.86; 649.53] | 
|
| Cp,gas | 201.22 | J/mol×K | 456.86 | Joback Calculated Property |
| Cp,gas | 210.41 | J/mol×K | 488.97 | Joback Calculated Property |
| Cp,gas | 219.17 | J/mol×K | 521.08 | Joback Calculated Property |
| Cp,gas | 227.52 | J/mol×K | 553.19 | Joback Calculated Property |
| Cp,gas | 235.47 | J/mol×K | 585.31 | Joback Calculated Property |
| Cp,gas | 243.05 | J/mol×K | 617.42 | Joback Calculated Property |
| Cp,gas | 250.26 | J/mol×K | 649.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-5-hexen-3-yn-2-ol.
Sources
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