- 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
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.3650 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -65.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 ± 0.06 | eV | NIST |
| log10WS | -3.61 | Relay (1.0) 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 | 363.02 | K | Relay (1.0) Calculated Property |
| Tc | 522.18 | K | Relay (1.0) Calculated Property |
| Tfus | 167.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.371 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.25; 312.74] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.29750e+01 | |||
| Coefficient B | 6.76920e-01 | |||
| Coefficient C | -5.10000e-04 | |||
| Coefficient D | 1.68800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 127.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 160.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 188.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 213.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 235.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 253.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 270.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 285.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 299.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 312.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008702; 0.0002588] | Pa×s | [173.75; 347.60] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -9.47135e+00 | |||
| Coefficient B | 4.21270e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 173.75 | |||
| Temperature range, max. | 347.60 | |||
| η | 0.0008702 | Pa×s | 173.75 | Calculated Property |
| η | 0.0006828 | Pa×s | 193.07 | Calculated Property |
| η | 0.0005599 | Pa×s | 212.38 | Calculated Property |
| η | 0.0004745 | Pa×s | 231.70 | Calculated Property |
| η | 0.0004126 | Pa×s | 251.02 | Calculated Property |
| η | 0.0003660 | Pa×s | 270.33 | Calculated Property |
| η | 0.0003298 | Pa×s | 289.65 | Calculated Property |
| η | 0.0003012 | Pa×s | 308.97 | Calculated Property |
| η | 0.0002779 | Pa×s | 328.28 | Calculated Property |
| η | 0.0002588 | Pa×s | 347.60 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexyl radical.
Sources
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