- InChI
- InChI=1S/C9H12O/c1-2-9(10,7-3-4-7)8-5-6-8/h1,7-8,10H,3-6H2
- InChI Key
- OXBOSLIINGKALV-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- C#CC(O)(C1CC1)C1CC1
- Molecular Weight1
- 136.19
- CAS
- 24297-12-9
- 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 | 0.4946 | Relay (1.0) Calculated Property | |
| ΔfG° | 235.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 174.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.171 | Crippen Calculated Property | |
| McVol | 113.220 | ml/mol | McGowan Calculated Property |
| Pc | 4093.38 | kPa | Joback Calculated Property |
| Tboil | 459.96 | K | Relay (1.0) Calculated Property |
| Tc | 713.38 | K | Relay (1.0) Calculated Property |
| Tfus | 376.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.42; 342.89] | J/mol×K | [497.87; 705.02] | 
|
| Cp,gas | 274.42 | J/mol×K | 497.87 | Joback Calculated Property |
| Cp,gas | 288.33 | J/mol×K | 532.39 | Joback Calculated Property |
| Cp,gas | 301.11 | J/mol×K | 566.92 | Joback Calculated Property |
| Cp,gas | 312.86 | J/mol×K | 601.44 | Joback Calculated Property |
| Cp,gas | 323.68 | J/mol×K | 635.97 | Joback Calculated Property |
| Cp,gas | 333.66 | J/mol×K | 670.49 | Joback Calculated Property |
| Cp,gas | 342.89 | J/mol×K | 705.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyn-1-ol, 1,1-dicyclopropyl-.
Sources
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