- InChI
- InChI=1S/C8H14O/c1-4-6-8(3,9)7-5-2/h9H,4,6H2,1-3H3
- InChI Key
- ZGPJPUGCDODKKH-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- CC#CC(C)(O)CCC
- Molecular Weight1
- 126.20
- CAS
- 4376-16-3
- 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° | 85.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.94 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 1.561 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 3399.94 | kPa | Joback Calculated Property |
| Tboil | 480.39 | K | Joback Calculated Property |
| Tc | 671.00 | K | Joback Calculated Property |
| Tfus | 349.26 | K | Joback Calculated Property |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.45; 322.18] | J/mol×K | [480.39; 671.00] | 
|
| Cp,gas | 261.45 | J/mol×K | 480.39 | Joback Calculated Property |
| Cp,gas | 272.99 | J/mol×K | 512.16 | Joback Calculated Property |
| Cp,gas | 283.92 | J/mol×K | 543.93 | Joback Calculated Property |
| Cp,gas | 294.28 | J/mol×K | 575.69 | Joback Calculated Property |
| Cp,gas | 304.09 | J/mol×K | 607.46 | Joback Calculated Property |
| Cp,gas | 313.38 | J/mol×K | 639.23 | Joback Calculated Property |
| Cp,gas | 322.18 | J/mol×K | 671.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-2-heptyn-4-ol.
Sources
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