- InChI
- InChI=1S/C9H16O/c1-6-9(10,7(2)3)8(4)5/h1,7-8,10H,2-5H3
- InChI Key
- DIFXCBNNWBBNCA-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- C#CC(O)(C(C)C)C(C)C
- Molecular Weight1
- 140.22
- CAS
- 5333-87-9
- 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 | 0.4977 | Relay (... Calculated Property | |
| ΔfG° | 109.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 11.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.57 | kJ/mol | Relay (... Calculated Property |
| IE | 9.52 | eV | Relay (... Calculated Property |
| log10WS | -1.85 | Relay (... Calculated Property | |
| logPoct/wat | 1.663 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 3062.55 | kPa | Joback Calculated Property |
| Tboil | 436.25 | K | Relay (... Calculated Property |
| Tc | 627.89 | K | Relay (... Calculated Property |
| Tfus | 312.86 | K | Relay (... Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.12; 371.07] | J/mol×K | [483.51; 669.62] | 
|
| Cp,gas | 304.12 | J/mol×K | 483.51 | Joback Calculated Property |
| Cp,gas | 316.93 | J/mol×K | 514.53 | Joback Calculated Property |
| Cp,gas | 329.04 | J/mol×K | 545.55 | Joback Calculated Property |
| Cp,gas | 340.48 | J/mol×K | 576.57 | Joback Calculated Property |
| Cp,gas | 351.27 | J/mol×K | 607.58 | Joback Calculated Property |
| Cp,gas | 361.45 | J/mol×K | 638.60 | Joback Calculated Property |
| Cp,gas | 371.07 | J/mol×K | 669.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Isopropyl-4-methyl-1-pentyn-3-ol.
Sources
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