- InChI
- InChI=1S/C6H8O/c1-2-3-4-5-6-7/h4-5,7H,6H2,1H3/b5-4+
- InChI Key
- FOQPBGTTZIKXSH-SNAWJCMRSA-N
- Formula
- C6H8O
- SMILES
- CC#CC=CCO
- Molecular Weight1
- 96.13
- 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).
- I : Polar retention indices.
- 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° | 145.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 70.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.74 | kJ/mol | Joback Calculated Property |
| log10WS | -1.25 | Crippen Calculated Property | |
| logPoct/wat | 0.558 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 4504.30 | kPa | Joback Calculated Property |
| I | [1256.00; 1256.00] |
|
|
| I | 1256.00 | NIST | |
| I | 1256.00 | NIST | |
| Tboil | 442.02 | K | Joback Calculated Property |
| Tc | 633.84 | K | Joback Calculated Property |
| Tfus | 319.22 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.29; 203.20] | J/mol×K | [442.02; 633.84] |
|
| Cp,gas | 162.29 | J/mol×K | 442.02 | Joback Calculated Property |
| Cp,gas | 170.00 | J/mol×K | 473.99 | Joback Calculated Property |
| Cp,gas | 177.33 | J/mol×K | 505.96 | Joback Calculated Property |
| Cp,gas | 184.30 | J/mol×K | 537.93 | Joback Calculated Property |
| Cp,gas | 190.92 | J/mol×K | 569.90 | Joback Calculated Property |
| Cp,gas | 197.21 | J/mol×K | 601.87 | Joback Calculated Property |
| Cp,gas | 203.20 | J/mol×K | 633.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hex-2-en-4-in-1-ol.
Sources
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