- InChI
- InChI=1S/C8H12O/c1-4-8(3,9)7(2)5-6-7/h1,9H,5-6H2,2-3H3
- InChI Key
- MWOFUOAWMMDAHZ-UHFFFAOYSA-N
- Formula
- C8H12O
- SMILES
- C#CC(C)(O)C1(C)CC1
- Molecular Weight1
- 124.18
- CAS
- 98558-09-9
- 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).
- 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° | 160.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 10.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.41 | kJ/mol | Joback Calculated Property |
| log10WS | -1.99 | Crippen Calculated Property | |
| logPoct/wat | 1.171 | Crippen Calculated Property | |
| McVol | 109.990 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Tboil | 468.49 | K | Joback Calculated Property |
| Tc | 671.13 | K | Joback Calculated Property |
| Tfus | 331.97 | K | Joback Calculated Property |
| Vc | 0.408 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.93; 306.15] | J/mol×K | [468.49; 671.13] | 
|
| Cp,gas | 246.93 | J/mol×K | 468.49 | Joback Calculated Property |
| Cp,gas | 259.12 | J/mol×K | 502.26 | Joback Calculated Property |
| Cp,gas | 270.21 | J/mol×K | 536.04 | Joback Calculated Property |
| Cp,gas | 280.32 | J/mol×K | 569.81 | Joback Calculated Property |
| Cp,gas | 289.59 | J/mol×K | 603.59 | Joback Calculated Property |
| Cp,gas | 298.16 | J/mol×K | 637.36 | Joback Calculated Property |
| Cp,gas | 306.15 | J/mol×K | 671.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Butyn-2-ol, 2-(1-methylcyclopropyl)-.
Sources
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