- InChI
- InChI=1S/C6H15N/c1-3-5-6(7)4-2/h6H,3-5,7H2,1-2H3
- InChI Key
- HQLZFBUAULNEGP-UHFFFAOYSA-N
- Formula
- C6H15N
- SMILES
- CCCC(N)CC
- Molecular Weight1
- 101.19
- CAS
- 16751-58-9
- Other Names
-
- 1-Ethylbutylamine
- 3-Aminohexane
- 3-Hexylamine
- Butylamine, 1-ethyl-
- ω : Acentric Factor.
- 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).
- 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).
- Pvap : Vapor 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 | 0.3918 | Relay (1.0) Calculated Property | |
| ΔfG° | 63.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.524 | Crippen Calculated Property | |
| McVol | 105.380 | ml/mol | McGowan Calculated Property |
| Pc | 3345.11 | kPa | Joback Calculated Property |
| Tboil | 388.65 ± 2.00 | K | NIST |
| Tc | 563.49 | K | Relay (1.0) Calculated Property |
| Tfus | 198.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.379 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.01; 274.66] | J/mol×K | [408.77; 592.91] | 
|
| Cp,gas | 211.01 | J/mol×K | 408.77 | Joback Calculated Property |
| Cp,gas | 222.78 | J/mol×K | 439.46 | Joback Calculated Property |
| Cp,gas | 234.07 | J/mol×K | 470.15 | Joback Calculated Property |
| Cp,gas | 244.89 | J/mol×K | 500.84 | Joback Calculated Property |
| Cp,gas | 255.25 | J/mol×K | 531.53 | Joback Calculated Property |
| Cp,gas | 265.17 | J/mol×K | 562.22 | Joback Calculated Property |
| Cp,gas | 274.66 | J/mol×K | 592.91 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [309.02; 411.61] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.77611e+01 | |||
| Coefficient B | -4.44225e+03 | |||
| Coefficient C | -5.47880e+01 | |||
| Temperature range, min. | 309.02 | |||
| Temperature range, max. | 411.61 | |||
| Pvap | 1.33 | kPa | 309.02 | Calculated Property |
| Pvap | 2.82 | kPa | 320.42 | Calculated Property |
| Pvap | 5.62 | kPa | 331.82 | Calculated Property |
| Pvap | 10.59 | kPa | 343.22 | Calculated Property |
| Pvap | 19.01 | kPa | 354.62 | Calculated Property |
| Pvap | 32.71 | kPa | 366.01 | Calculated Property |
| Pvap | 54.16 | kPa | 377.41 | Calculated Property |
| Pvap | 86.65 | kPa | 388.81 | Calculated Property |
| Pvap | 134.39 | kPa | 400.21 | Calculated Property |
| Pvap | 202.68 | kPa | 411.61 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexanamine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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