- InChI
- InChI=1S/C6H13/c1-3-5-6-4-2/h1,3-6H2,2H3
- InChI Key
- PQGAHNJECSVDEI-UHFFFAOYSA-N
- Formula
- C6H13
- SMILES
- [CH2]CCCCC
- Molecular Weight1
- 85.17
- CAS
- 2679-29-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ΔfG° | 52.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.80 | kJ/mol | Joback Calculated Property |
| IE | 7.92 ± 0.06 | eV | NIST |
| log10WS | -1.94 | Crippen Calculated Property | |
| logPoct/wat | 2.401 | Crippen Calculated Property | |
| McVol | 93.250 | ml/mol | McGowan Calculated Property |
| Pc | 3265.31 | kPa | Joback Calculated Property |
| Tboil | 335.98 | K | Joback Calculated Property |
| Tc | 496.27 | K | Joback Calculated Property |
| Tfus | 173.75 | K | Joback Calculated Property |
| Vc | 0.362 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.29; 207.99] | J/mol×K | [335.98; 496.27] | 
|
| Cp,gas | 153.29 | J/mol×K | 335.98 | Joback Calculated Property |
| Cp,gas | 163.51 | J/mol×K | 362.70 | Joback Calculated Property |
| Cp,gas | 173.26 | J/mol×K | 389.41 | Joback Calculated Property |
| Cp,gas | 182.56 | J/mol×K | 416.13 | Joback Calculated Property |
| Cp,gas | 191.44 | J/mol×K | 442.84 | Joback Calculated Property |
| Cp,gas | 199.91 | J/mol×K | 469.56 | Joback Calculated Property |
| Cp,gas | 207.99 | J/mol×K | 496.27 | Joback Calculated Property |
| η | [0.0002699; 0.0008702] | Pa×s | [173.75; 335.98] |
|
| η | 0.0008702 | Pa×s | 173.75 | Joback Calculated Property |
| η | 0.0006278 | Pa×s | 200.79 | Joback Calculated Property |
| η | 0.0004894 | Pa×s | 227.83 | Joback Calculated Property |
| η | 0.0004023 | Pa×s | 254.87 | Joback Calculated Property |
| η | 0.0003433 | Pa×s | 281.90 | Joback Calculated Property |
| η | 0.0003012 | Pa×s | 308.94 | Joback Calculated Property |
| η | 0.0002699 | Pa×s | 335.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexyl radical.
Sources
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